[The following schedule is tentative and subject to change]

 

 

 

Day

Date

Start

End

 

Title

SIG

Organizers/Contact Information

Friday

20-Jul

8:30 AM

5:00 PM

WK1

Cryo-­‐EM -A Guide to High‐Resolution Structure Determination         


Sponsored By:



 
 
 

 

Wai Chiu: [email protected]

Lori Passmore: [email protected]

John Rubinstein: [email protected]

 

Friday

20-Jul

8:30 AM

5:00 PM

WK2

Molecular Art & Animation in 3D

YS

 

Chelsy Chesterman: [email protected]

 

 

 

 

 



WK3



X-Ray Crystallography: Structure Preparation, Electron Density and Solvent Analysis

 

 

 

Friday

20-Jul

8:30 AM

5:00 PM

WK4

Applications of Small Angle Scattering to Structural Biology: An Introduction


Sponsored By:



 

 

 


 

Kushol Gupta: [email protected]

Richard Gillilan: [email protected]

Jesse Hopkins: [email protected]

Haydyn Mertens: [email protected]

Srinivas Chakravarthy: [email protected]

 

Friday

20-Jul

8:30 AM

5:00 PM

WK5

Rietveld Refinement And Pair Distribution Function Analyses Of In Situ X-Ray Scattering Data Within GSAS-‐II   

 

 

Olaf J. Borkiewicz: [email protected]

 

 

Friday

20-Jul

5:30 PM

6:30 PM

 

First Time Attendee & Student Meeting Orientation

 

 

 

Friday

20-Jul

6:30 PM

7:30 PM

 

Opening Ceremony with plenary lecture by 1986 Nobel Laureate in Chemistry, John Polanyi

 

 

 

Friday

20-Jul

7:30 PM

 

 

Opening Reception & Exhibit Show

 

 

 

Saturday

21-Jul

7:45 AM

 

TMT1

3-Minute Thesis

YS

 

Victor Young: [email protected]

Pavol Juhas: [email protected]

 

Saturday

21-Jul

9:00 AM

12:00 PM

1.1.1

Closing the R-Factor Gap in Protein Crystallography

BM

CD

 

James Holton: [email protected]

Robert Thorne: [email protected]

 

Saturday

21-Jul

9:00 AM

12:00 PM

1.1.2

Structural biology of nucleic acids and protein-nucleic acid complexes


Sponsored By:





 

 

 

 

 
 

 

 
 

BM

SAS
LS

YS

 

Joseph E. Wedekind: [email protected]

Rui Zhao: [email protected]

Aaron Robart: [email protected]

 

Saturday

21-Jul

9:00 AM

12:00 PM

1.1.3

Dynamic Crystals as Molecular Materials

 

Sponsored By:



 

SM

M
YS

CD

 

Dmitriy V. Soldatov: [email protected]

Louise Dawe: [email protected]

 

Saturday

21-Jul

9:00 AM

12:00 PM

1.1.4

Neutron and X-ray Scattering of Correlated and Quantum Materials

NMP

 

J.E. Greedan: [email protected]

Craig Bridges: [email protected]

 

Saturday

21-Jul

9:00 AM

12:00 PM

T1

Transactions 1 - Shining a Light on Structure-Based Drug Discovery

 

Steve Sossion: [email protected]

Vincent Stoll: [email protected]

 

Saturday

21-Jul

12:00 PM

 

TMT2

3-Minute Thesis Finals

YS

 

Victor Young: [email protected]

Pavol Juhas: [email protected]

 

Saturday

21-Jul

1:30 PM

5:00 PM

1.2.1

Structural Dynamics - In honour of Phil Coppens

 

Sponsored By:


 

 


 

SS

CD

 

Yu-Sheng Chen: [email protected]

Jason Benedict: [email protected]

 

Saturday

21-Jul

1:30 PM

5:00 PM

1.2.2

Hybrid Techniques

LS

 

Bhushan Nagar[email protected]

Srinivas Chakravarti[email protected]

 

Saturday

21-Jul

1:30 PM

5:00 PM

1.2.3

Neutrons as Complimentary Probes for Crystals and Scattering

 

Sponsored By:


 

 
 
 
 

BM

LS

 

Leighton Coats: [email protected]

Gloria Borgstsal: [email protected]

 

Saturday

21-Jul

1:30 PM

5:00 PM

1.2.4

Forefront of Electron Scattering for Nanoscale and Metastable Materials / Electron Diffraction

NMP

 

Jing Tao: [email protected]

Albina Borisovich:  [email protected]

 

Saturday

21-Jul

1:30 PM

5:00 PM

T2

Transactions 2 - Shining a Light on Structure-Based Drug Discovery

 

Steve Sossion: [email protected]

Vincent Stoll: [email protected]  

 

Saturday

21-Jul

5:30 PM

7:30 PM

PS1

Poster Session 1

 

Louise Dawe: [email protected] 

David Rose: [email protected]

 

Saturday

21-Jul

6:30 PM

8:00 PM

1.3.1

Career Development

YS

 

 

Sunday

22-Jul

8:00 AM

8:45 AM

PL1

Warren Award Lecture - Simon Billinge

 

 

Lisa Keefe: [email protected]

 

Sunday

22-Jul

9:00 AM

12:00 PM

2.1.1

Special Sessions in Honour of Richard E. Marsh (1)

SS

CD

 

Louise Dawe: [email protected]

Mike Takase: [email protected]

 

Sunday

22-Jul

9:00 AM

12:00 PM

2.1.2

Current state of instrumentation, automation, status and future. Focus on practical aspects.

IS

 

Matthew Clifton: [email protected]

Jan Abendroth: [email protected]

 

Sunday

22-Jul

9:00 AM

12:00 PM

2.1.3

NMR Crystallography

 

Sponsored By:

 


SM

NMP

 

Manish Mehta: [email protected]

Tomislav Friscic: [email protected]

 

Sunday

22-Jul

9:00 AM

12:00 PM

2.1.4

Advances in Biological Cryo-Electron Microscopy 1

BM

LS

 

Wah Chiu: [email protected]

Lori Passmore: [email protected]

Sunday

22-Jul

9:00 AM

12:00 PM

2.1.5

Materials for a Sustainable Future

NMP

 

Mario Wriedt: [email protected]

Fernando J. Uribe-Romo: [email protected]

 

Sunday

22-Jul

1:30 PM

5:00 PM

2.2.1

Special Sessions in Honour of Richard E. Marsh (2)

SS

CD

 

Paul Boyle: [email protected]

Alexander Filatov: [email protected]

 

Sunday

22-Jul

1:30 PM

5:00 PM

2.2.2

New Advances in Fiber Diffraction

FD

NMP

 

J. Orgel: [email protected]

P. Langan: [email protected]

 

Sunday

22-Jul

1:30 PM

5:00 PM

2.2.3

General Interest 1

GIG

YS

 

Carla Slebodnick: [email protected]

Soumya Remesh: [email protected]

 

Sunday

22-Jul

1:30 PM

5:00 PM

2.2.4

Advances in Biological Cryo-Electron Microscopy 2

BM

 

Wah Chiu: [email protected]

Lori Passmore: [email protected]

 

Sunday

22-Jul

1:30 PM

5:00 PM

2.2.5

Materials for Energy Conversion & Storage

NMP

 

Ashfia Huq: [email protected]

Olaf Borkiewicz: [email protected]

 

Sunday

22-Jul

5:30 PM

7:30 PM

PS2

Poster Session 2

 

Louise Dawe: [email protected]  

David Rose: [email protected]

 

Sunday

22-Jul

6:30 PM

8:30 PM

2.3.1

Would You Publish This?

 


 

 


 

SS

SM

 

Dannielle Gray: [email protected]

Jeff Burtke:  [email protected]

 

Sunday

22-Jul

8:00 PM

 

NM

Networking Mixer

YS

 

 

Monday

23-Jul

8:00 AM

8:45 AM

PL2

Beurger Award Lecture - Frank Hawthorne

 

 

Lisa Keefe: [email protected]

 

Monday

23-Jul

9:00 AM

12:00 PM

3.1.1

Structural Biology of Pathogens: Cellular Interactions, Drug Resistance, and Immune Responses 1

BM

CD
LS

 

B.V.V. Prasad: [email protected]

Jean-Philippe Julien: [email protected]

Michael Becker: [email protected]

 

Monday

23-Jul

9:00 AM

12:00 PM

3.1.2

Best practices for building, refining, and analyzing ligands in macromolecular structures

 

Sponsored By: 




 

 





BM

IS

 

Anna Gardberg: [email protected]

Kurt Krause: [email protected]

 

Monday

23-Jul

9:00 AM

12:00 PM

3.1.3

Theoretical and Computational Crystallography - Present and Future Opportunities at the Structural Interface of Experiment and Theory 1

NMP

 

Branton Campbell: [email protected]  

Wenhao Sun: [email protected]


Monday

23-Jul

9:00 AM

12:00 PM

3.1.4

Next Generation Sources/SAS @ New Sources

LS

SAS

 

Marjolein Thunnissen: [email protected]

Ray Sierra: [email protected] 

 

Monday

23-Jul

9:00 AM

12:00 PM

3.1.5

Crystallography at Extreme Conditions

 

Sponsored By: 



 




SM

GIG
NMP

 LS

Camelia Stan: [email protected]

Cristine Beavers: [email protected]

 

Monday

23-Jul

1:30 PM

5:00 PM

3.2.1

Structural Biology of Inherited Metabolic Disorders: Personalized Biochemistry and Biophysics

 

Sponsored By: 




BM

 

Lesa Beamer: [email protected]

Jack Tanner: [email protected]

 

Monday

23-Jul

1:30 PM

5:00 PM

3.2.2

Crystallization on the International Space Station

GIG

ISS
SM

YS

Ken Savin: [email protected]

Marc Giulianotti: [email protected]

 

Monday

23-Jul

1:30 PM

5:00 PM

3.2.3

Theoretical and Computational Crystallography - Present and Future Opportunities at the Structural Interface of Experiment and Theory 2

NMP

 

Peter Khalifah: [email protected]

Wenhao Sun: [email protected]

 

Monday

23-Jul

1:30 PM

5:00 PM

3.2.4

Scattering Strategies in Biomembrane Research

SAS

N
CD

 

Frederick Heberle: [email protected]

Drew Marquardt[email protected]

Maikel Rheinstadter: [email protected]

 

Monday

23-Jul

1:30 PM

5:00 PM

3.2.5

Mineralogical Crystallography

SM

NMP
CD

 

Nichole Valdez: [email protected]

Aaron Celestain: [email protected]

 

Monday

23-Jul

5:00 PM

 

AMBM

All Members Business Meeting

 

 

 

Monday

23-Jul

5:30 PM

7:30 PM

PS3

Poster Session 3

 

Louise Dawe: [email protected]  

David Rose: [email protected]

 

Monday

23-Jul

6:30 PM

8:00 PM

3.3.1

Diversity & Inclusivity

 

Sponsored By: 



YS

IS
CD

Bernard Santarsiero: [email protected]

 

Tuesday

24-Jul

8:00 AM

8:45 M

PL3

Etter Award Lecture - Jason McLellan

 

Lisa Keefe: [email protected]

 

Tuesday

24-Jul

9:00 AM

12:00 PM

4.1.1

Structural Biology of Pathogens and Drug Resistance 2

BM

CD

 

B.V.V. Prasad: [email protected]

Jean-Philippe Julien: [email protected]

Michael Becker: [email protected]

 

Tuesday

24-Jul

9:00 AM

12:00 PM

4.1.2

Minding the Gap: MX to XFEL / Open Science

LS

YS
CD

 

Jenifer Wierman: [email protected]

Ana Gonzalez: [email protected]

 

Tuesday

24-Jul

9:00 AM

12:00 PM

4.1.3

Cool Structures

SM

SS

 

Shao-Liang Zheng: [email protected]

SuYin Grass Wang[email protected] 

Tuesday

24-Jul

9:00 AM

12:00 PM

4.1.4

Application of SAS to Complex Mixtures

SAS

 

Thomas Weiss: [email protected]

Nigel Kirby: [email protected]

 

Tuesday

24-Jul

9:00 AM

12:00 PM

4.1.5

Operando & In-Situ Studies

NMP

 

Wenqian Xu: [email protected]

Sanjit Ghose: [email protected]

 

Tuesday

24-Jul

1:30 PM

5:00 PM

4.2.1

Regulation of Protein Function by Shape Shifting

 

Sponsored By: 

 

 



BM

SAS

 

Erica O Saphire: [email protected]

Emilia C Arturo: [email protected]

Eileen K. Jaffe: [email protected]

 

Tuesday

24-Jul

1:30 PM

5:00 PM

4.2.2

General Interest 2

GIG

YS

 

Michael Takase: [email protected]

Laura Van Staalduinen: [email protected]

 

Tuesday

24-Jul

1:30 PM

5:00 PM

4.2.3

Engaging Undergrads with Crystallographic Research

 

Sponsored By: 


 

GIG

 

Joe Tanski: [email protected]

Rachel Powers: [email protected]

 

Tuesday

24-Jul

1:30 PM

5:00 PM

4.2.4

Powder Diffraction of Industrial and Pharmaceutical Materials

 

Sponsored By: 

 

 

NMP

IS

 

Silvina Pagola[email protected]

Jim Kadak: [email protected]  

 

Tuesday

24-Jul

1:30 PM

5:00 PM

4.2.5

Crystallography in Synergy with Computation, Spectroscopy and Synthesis  

SM

 

Larry Falvello: [email protected]

Alberto Albinati: [email protected]

 

Tuesday

24-Jul

6:30 PM

 

AAB

Annual Awards Banquet

 

 

 

Wednesday

25-Jul

TBA

 

PLN

2019 Kentucky Planning Meeting

 

 

 

 

 

WK1: Cryo-­‐EM -A Guide to High‐Resolution Structure Determination

 

Over the past five years, cryo-EM has become increasingly popular and is now the method of choice for structure determination of proteins larger than ~200 kDa. It has been particularly successful for proteins that are difficult to crystallize, including membrane proteins, large assemblies and multi-protein complexes. The aim of this workshop is to provide a detailed overview of cryo-EM specimen preparation, image processing and building/refinement of atomic models. The workshop will focus on high-resolution single particle cryo-EM. Aspects of image processing and modelling will be hands-on - state-the-art programs will be used by the students to process sample datasets.

 

User facilities are being established in many universities and these will allow a larger community to access cryo-EM. By teaching the main concepts and challenges in each step, this workshop will benefit those who want to use cryo-EM in the future, or who have recently transitioned into it. The organizers are experts in the topics they will be teaching and all have been involved in methods development. We will strive to include up-to-date discussions of cutting-edge methods and technology.

 

Organizers:

Wai Chiu: [email protected]

Lori Passmore: [email protected]

John Rubinstein: [email protected]

 

      WK 1 Sponsored By: 


                




 

WK2: Molecular Art & Animation in 3D                                                            

 

Beautiful figures and animations have become synonymous with the publication of structural data in top research journals. Demonstrating molecular concepts and structural data using these strategies is also highly effective in scientific presentations or outreach activities. Many crystallographers enter the field with a background in biology or chemistry and are unfamiliar with creating such artwork. This workshop will focus on the creation of figures and animations in multiple software programs including PyMOL, Chimera, Blender 3D, and Maya. Topics will include factors to consider when designing your art and animations, basic operation of these programs, and follow-along examples. The main goal of the workshop will be to give participants an overview of the available tools so that they can start to explore creating their own molecular art.

 

Organizers:

Chelsy Chesterman: [email protected]

 

 




 

 WK3: X-Ray Crystallography: Structure Preparation, Electron Density and Solvent Analysis

 

 

 

 

 

 

WK4: Applications of Small Angle Scattering to Structural Biology: An Introduction                                                                           

 

Small angle X-ray and neutron scattering (SAXS/SANS, or SAS) has experienced dramatic growth over the past fifteen years within the structural biology community, emerging as an important and versatile analytical technique for the study of the structure and function of biological macromolecules in solution. Publications that employ the technique on biological macromolecules appear in Pubmed at a rate of ~one per day. Based on this and recent successful workshops at the 2013, 2015, and 2016 ACA meetings, we believe the 2018 meeting in Toronto will serve as an excellent destination for bringing together SAS experts to prepare students and investigators new to the method for the successful application of this technique. We propose a one-day workshop providing introduction to both the theory of the method and best practices common to the field. In addition to synchrotron sources, this workshop will devote content to laboratory x-ray sources and contrast variation using neutron sources.

 

Organizers:

Kushol Gupta: [email protected]

Richard Gillilan: [email protected]

Jesse Hopkins: [email protected]

Haydyn Mertens: [email protected]

Srinivas Chakravarthy: [email protected]

 

      WK 4 Sponsored By: 


                        

 

 

 

WK5: Rietveld Refinement And Pair Distribution Function Analyses Of In Situ X-Ray Scattering Data Within GSAS-‐II   

 

This workshop will be a foray into structural analysis of powder X-¬‐ray scattering data - one of the most comprehensive and powerful tools for evaluating crystal structures. The primary goal of this workshop will be to discuss and explain all typical steps involved in structural analysis of X-¬‐ray scattering data with emphasis on data collected at modern users' facilities using large-¬‐area detectors. These will include such aspects of the experiment as measurement calibration, data reduction, peak profile fitting, Rietveld refinement and others.  In addition to "classic" single pattern refinement approach, we will explore strategies for handling large data sets, i.e. sequential refinements and parametric fitting to in situ and operando data. Part of the workshop will be also dedicated to the complementary use of pair distribution function (PDF) analysis, which allow extraction of structural information from amorphous and disordered materials, for which classical crystallographic approaches may not yield satisfactory results.  All tasks pertaining to the workshop will be accomplished within General Structure Analysis System (GSAS-¬‐II). GSAS-¬‐ II is a powerful open-¬‐source Python-based tool that addresses all types of crystallographic studies and handles all standard activities involved in the reduction and analysis of data acquired with both X-ray and neutron probes. This will be an excellent opportunity to learn how to take full advantage of this powerful software directly from the program authors, Robert Von Dreele and Brian Toby, and how to apply this knowledge to real-world applications and experimental data sets presented by beamline scientists, Kamila Wiaderek, Andrey Yakovenko and Olaf Borkiewicz, Advanced Photon Source, Argonne  National Laboratory.

 

Organizers:

Olaf J. Borkiewicz: [email protected]

 

 


 

TMT1: 3-Minute Thesis

Organizers:

Victor Young: [email protected]

Pavol Juhas: [email protected]

 

 

 

1.1.1: Closing the R-Factor Gap in Protein Crystallography

 

In macromolecular crystallography, the agreement between measured and predicted structure factors (Rcryst and Rfree) is seldom better than 20%, much larger than the estimate of experimental error (Rmerge), and an order of magnitude worse than in small-molecule crystallography.  This poor agreement is not due to experimental noise or inaccurate model phases, but appears to reflect a fundamental inadequacy in the models used to explain the observations.  What information might be missing from our models, and how much more might crystallography tell us about macromolecular structure and function with improved models?

 

This session will explore ways in which current models of the protein, solvent, and crystal may be deficient, recent attempts to address these deficiencies, and experimental and/or theoretical constraints/insights that are needed to guide further development.

 

Organizers:

James Holton: [email protected]

Robert Thorne: [email protected]

 

 

 

1.1.2: Structural biology of nucleic acids and protein-nucleic acid complexes 

 

This session explores the latest discoveries in nucleic acid form and function with a focus on ncRNAs, as well as the structure and biogenesis of protein-nucleic acid complexes. Preference for oral presentations will be given to descriptions of ncRNA gene regulatory mechanisms with implications for drug discovery, as well as large assemblies whose structure provides insight into the underlying biology. These areas of structural biology have been catalyzed by advances in XFEL technology and cryoEM, which have enabled the structural analysis of dynamic RNAs and large protein-nucleic acid complexes that have defied the use of canonical crystallographic approaches. These advances will be highlighted along with other complementary approaches.

 

Organizers:

Joseph E. Wedekind: [email protected]

Rui Zhao: [email protected]

Aaron Robart: [email protected]

 

           1.1.2 Sponsored By: 

 
                                                  

 

1.1.3: Dynamic Crystals as Molecular Materials

 

This half-day session is devoted to dynamic crystals, specifically the design, synthesis and study of crystalline molecular systems that exhibit dynamic properties. Dynamic crystals will be highlighted as a first step toward a new generation of molecular materials with modifiable physical properties, facile solid state reactions, or controlled responsivity to external stimuli (e.g., mechanical, chemical, thermal, etc.). The macroscopic properties in the target materials arise from changes in the arrangement of weakly bonded molecules in a molecular crystal. Participants are invited to submit abstracts related to: mechanical dynamics within the crystal structure; plasticity of molecular crystals; phase transitions in crystalline materials; dynamic host-guest relationship in inclusion compounds; solid state reactivity in molecular and supramolecular crystals.

 

Organizers:

Dmitriy V. Soldatov: [email protected]

Louise Dawe: [email protected]

 

        1.1.3 Sponsored By: 


     

 



1.1.4: Neutron and X-ray Scattering of Correlated and Quantum Materials

 

There is considerable recent interest in magnetic materials which show strong electron correlation and spin orbit coupling, geometric frustration and quantum effects which lead to exotic ground states. These include spin ices, spin liquids, collective spin singlets, Kitaev quantum spin liquids and others. The interest in these effects is partly driven by the potential to transform critical technologies (e.g., quantum computing, energy efficient electronics). Neutron and x-ray scattering are often the most revealing probes of these unusual phenomena, for studies of topology and for characterizing excited states. In this session recent progress from studies of materials exhibiting such exotic behavior using neutron and x-ray scattering methods, both elastic and inelastic, will be highlighted. 

 

Organizers:

J.E. Greedan: [email protected]

Craig Bridges: [email protected]

 

 

 

T1: Transactions 1 - Shining a Light on Structure-Based Drug Discovery

 

Meeting participants working in the area of protein crystallography, cryo-electron microscopy, and with an interest in drug discovery will have an opportunity to learn from experts how cutting edge technologies are being applied to next-generation drug discovery. Unique facets of industrial structural biology will be highlighted in the course of discussing small-molecule hit-finding efforts, such as fragment-based drug discovery, and the integration of structural and computational approaches to facilitate structure-based drug design. The role of structural information in "new" modality discovery such as vaccines, biologics and peptides will also be discussed.  Unique opportunities to increase the breadth and scope of structural impact in drug discovery will be presented in context of new methods to access traditionally challenging targets such as ion channels and GPCRs, and how next generation synchrotrons, XFELs, and serial data collection techniques could play key roles in the future.

 

Organizers:

Steve Sossion: [email protected]

Vincent Stoll: [email protected]

 

 

TMT2: 3-Minute Thesis Finals

Organizers:

Victor Young: [email protected]

Pavol Juhas: [email protected]

 

 

 

1.2.1: Structural Dynamics - In honour of Phil Coppens


This special session of the Annual Meeting of the American Crystallographic Association is dedicated to the late Professor Philip Coppens for his lifetime of outstanding scientific achievements and dedication to serving the broader scientific community. Philip authored over 430 peer-reviewed publications. His contributions impacted every aspect of charge density theory and application as well as the development and application of time-resolved X-ray diffraction methods to monitor light-induced structural transformations in small molecule systems.


In 2006 Philip was awarded the triennial Ewald Prize of the International Union of Crystallography at the Florence IUCr Congress for contributions to developing the charge density field and the crystallography of molecular excited states. In addition to serving on a number of editorial and scientific advisory boards, Philip also served as President of the American Crystallographic Association and President of the International Union of Crystallography.


This session will showcase recent advances in structural science using X-ray diffraction that are inspired by his impactful scientific legacy.


Organizers:

Yu-Sheng Chen: [email protected]

Jason Benedict: [email protected]

 

           1.2.1 Sponsored By: 


                     
 

 

1.2.2: Hybrid Techniques

 

The hybrid methods session will focus on the increasing impact of SAXS on the study of biological macromolecules due to the newly developed ability to combine SAXS instrumentation with purification apparatuses, and a variety of other biophysical analysis tools. The ease with which different kinds of microfluidic chips and mixers can be integrated into a SAXS camera has led to significant developments in the field of time-resolved SAXS, which affords us the ability to study structural alterations during processes such as protein / nucleic acid folding, enzyme-substrate binding, ligand binding etc.

 

Organizers:

Bhushan Nagar[email protected]

Srinivas Chakravarti[email protected]

 

 

 

1.2.3: Neutrons as Complimentary Probes for Crystals and Scattering

 

This session will focus on the role of neutrons in protein crystallography and small angle scattering which offer complementary data to X-rays enabling us to understand evermore complex systems. Understanding how the structure and dynamics of an enzyme system governs function through the catalytic steps of an enzyme and binding of ligand remain a major challenge in molecular biophysics. For example, many biologically important reactions depend on the transfer of protons, and a complete understanding of the catalytic power of enzymes requires knowledge of the protonation status of residues throughout the reaction pathway. The uniqueness of neutrons is in their fundamental physical properties, which result in the strong scattering from the lightest atoms in the Periodic Table, and in the neutrons' benignity towards biological samples. Small angle neutron scattering (SANS) coupled with contrast matching for the study of biological systems offers fundamentally new, direct information that can only be inferred from most other techniques. SANS is particularly useful for studying the binding of DNA and protein-protein associations in complexes that cannot be crystallized. 

 

Organizers:

Leighton Coats: [email protected]

Gloria Borgstsal: [email protected]

 

     1.2.3 Sponsored By: 

 
                       

 

1.2.4: Forefront of Electron Scattering for Nanoscale and Metastable Materials / Electron Diffraction

 

Electron scattering techniques offer unique opportunity to probe a variety of structural origin, including lattice, electronic, magnetic and chemical information, of materials' functionalities. This session is to demonstrate the latest development and applications of electron probes with particular highlights on ultrafast, in situ and multimodal techniques. Those researches using electron scattering techniques result in quantitative structural analysis visualized in more-than-three dimensions, with 3D in crystallography and additional dimension in time-domain, energy-space and/or chemical mapping.

 

Organizers:

Jing Tao: [email protected]

Albina Borisovich:  [email protected]

 

 

 

T2: Transactions 2 - Shining a Light on Structure-Based Drug Discovery

 

Meeting participants working in the area of protein crystallography, cryo-electron microscopy, and with an interest in drug discovery will have an opportunity to learn from experts how cutting edge technologies are being applied to next-generation drug discovery. Unique facets of industrial structural biology will be highlighted in the course of discussing small-molecule hit-finding efforts, such as fragment-based drug discovery, and the integration of structural and computational approaches to facilitate structure-based drug design. The role of structural information in "new" modality discovery such as vaccines, biologics and peptides will also be discussed.  Unique opportunities to increase the breadth and scope of structural impact in drug discovery will be presented in context of new methods to access traditionally challenging targets such as ion channels and GPCRs, and how next generation synchrotrons, XFELs, and serial data collection techniques could play key roles in the future.

 

Organizers:

Steve Sossion: [email protected]

Vincent Stoll: [email protected]   

 

 

 

PS1: Poster Session 1

Organizers:

Louise Dawe:[email protected]   

David Rose: [email protected] 

 

 

 

 

1.3.1: Career Development

 

This session will feature resume/CV critiques (by pre-schedule only on the meeting registration form) for scientists beginning their careers. The session will begin with a short primer on perfecting one's professional presentation. Effective advertising of one's skills and techniques to a tailored audiences is a necessary skill but one that is frequently not discussed within academia or crystallographic work. This professional development session will bring together experts of varied career experiences to work one-on-one with young scientists (who have preregistered for the event) to examine how they can improve their written and verbal communication skills to potential employers. No abstracts will be accepted for this session.

 

Organizers:

Rene Coulombe: [email protected]

 

 

 

PL1: Warren Award Lecture - Simon Billinge

 

To recognize an important recent contribution to the physics of solids or liquids using X-ray, neutron, or electron diffraction techniques. Works published within a six-year period ending June 30 of the year preceding the Award may be nominated. This award is made every third year. Established in 1970 by students and friends of Professor B.E. Warren on the occasion of his retirement from the Massachusetts Institute of Technology.

 

 

 

2.1.1: Special Sessions in Honour of Richard E. Marsh (1)

 

In January 2017, Richard E. Marsh passed away after a crystallographic career which spanned over 70 years.  His work on identifying incorrect structures has had a tremendous impact on chemical crystallography, and has led to the development of structure validation tools such CheckCIF.  This session celebrates the life and scientific achievements of R. Marsh. Presentations will include both personal reminiscences and scientific talks on topics inspired by Marsh's work.

 

Organizers:

Louise Dawe: [email protected]

Mike Takase: [email protected]

 

 

 

2.1.2: Current state of instrumentation, automation, status and future. Focus on practical aspects.

 

Crystallography is an established technique in drug discovery and lead optimization. To support these efforts, industrial crystallographers need to conduct a variety of high throughput experiments with the support of automation. This session will present new and unique methods developed to perform library and fragment screening by crystallography, high throughput data collection, and new methods for automated data processing.

 

Organizers:

Matthew Clifton: [email protected]

Jan Abendroth: [email protected]

 

 

 

2.1.3: NMR Crystallography

 

This session will concentrate on a new, growing field that seeks to interrogate the crystalline state of matter using magnetic resonance and related methods. Talks in the session will focus on the use of nuclear and electronic spin degrees of freedom to explore crystal growth, de novo structure determination, structural disorder, macromolecular assemblies, and small molecules. Where possible, the synergy between diffraction-based methods and magnetic resonance will be emphasized.

 

Organizers:

Manish Mehta: [email protected]

Tomislav Friscic: [email protected]

 

           2.1.3 Sponsored By: 


     

 

2.1.4: Advances in Biological Cryo-Electron Microscopy 1

 

Over the past five years, cryo-EM has become increasingly popular and is often the method of choice for structure determination of proteins larger than ~200 kDa. It has been particularly successful for proteins that are difficult to crystallize, including membrane proteins, large assemblies and multi-protein complexes. This session will feature recent structures determined using cryo-EM. The morning session will focus on membrane proteins. The afternoon session will focus on challenging macromolecules including dynamic complexes and smaller proteins. Both sessions will include invited speakers and selected abstracts.

 

Organizers:

Wah Chiu: [email protected]

Lori Passmore: [email protected]

 

 

 

2.1.5: Materials for a Sustainable Future

 

This session explores advances and challenges related to the theory, design, synthesis, and application of advanced crystalline materials for applications in sustainable, alternate, and clean sources of energy. These applications include, but are not limited to, photovoltaic, photocatalytic, electrochemical and gas storage systems that center around carbon-neutral, carbon-free, and carbon reduction paradigms. 

 

Organizers:

Mario Wriedt: [email protected]

Fernando J. Uribe-Romo: [email protected]

 

 

 

2.2.1: Special Sessions in Honour of Richard E. Marsh (2)

 

In January 2017, Richard E. Marsh passed away after a crystallographic career which spanned over 70 years.  His work on identifying incorrect structures has had a tremendous impact on chemical crystallography, and has led to the development of structure validation tools such CheckCIF.  This session celebrates the life and scientific achievements of R. Marsh. Presentations will include both personal reminiscences and scientific talks on topics inspired by Marsh's work.

 

Organizers:

Paul Boyle: [email protected]

Alexander Filatov: [email protected]

 

 

 

2.2.2: New Advances in Fiber Diffraction

 

This session will explore recent advances in fiber diffraction and how these advances are enabling leading-edge research that benefits from a merging of ideas and techniques from different disciplines.

 

Organizers:

J. Orgel: [email protected]

P. Langan: [email protected]

 

 

 

2.2.3: General Interest 1

 

General Interest sessions are the forum for topics of broad interest to the crystallographic community or for presentations that do not fit the specific theme of other sessions. All presentations are selected from submitted abstracts.

 

Organizers:

Carla Slebodnick: [email protected]

Soumya Remesh: [email protected]

 

 

 

2.2.4: Advances in Biological Cryo-Electron Microscopy 2

 

Over the past five years, cryo-EM has become increasingly popular and is often the method of choice for structure determination of proteins larger than ~200 kDa. It has been particularly successful for proteins that are difficult to crystallize, including membrane proteins, large assemblies and multi-protein complexes. This session will feature recent structures determined using cryo-EM. The morning session will focus on membrane proteins. The afternoon session will focus on challenging macromolecules including dynamic complexes and smaller proteins. Both sessions will include invited speakers and selected abstracts.

 

Organizers:

Wah Chiu: [email protected]

Lori Passmore: [email protected]

 

 

 

2.2.5: Materials for Energy Conversion & Storage

 

The development of new technologies for electrical energy production, storage and conversion is critical to the long-term security of national and international energy infrastructure, spanning a whole range of applications, from electrical grid to electric vehicles to personal electronic devices. Operation of these energy storage devices is governed by phenomena that span multiple length and time scales. Incisive characterization tools are essential to advance our fundamental understanding of these phenomena and how they ultimately impact. Gaps exist in our understanding of charge transfer, mass transport and structural changes that impedes the rational optimization of capacity, charge rate, lifetime and safety. The goal of this session is to provide a broad overview of neutron and X-ray scattering studies on materials that address key energy-related problems, including but not limited to new battery materials and solar technologies.

 

Organizers:

Ashfia Huq: [email protected]

Olaf Borkiewicz: [email protected]

 

 

 

PS2: Poster Session 2

Organizers:

Louise Dawe:[email protected]

David Rose: [email protected]

 

 

 

 

2.3.1: Would You Publish This?

 

When is a structure too poor to publish? How much should scientific impact affect this decision? What are some recommended procedures for publishing poor quality structures? What compromises are involved in the publication of "low quality" structures? If you have ever asked yourself these questions then share your insights structures and problems with the small molecule community. Talks in this session will be restricted to approximately 5 minutes in order to encourage audience participation and discussion. All talks will be selected from submitted abstracts. Those who submit abstracts to this session may still submit a second abstract to other sessions at no additional fee.

 

Organizers:

Dannielle Gray: [email protected]

Jeff Burtke:  [email protected]


            2.3.1. Sponsored By: 

 

         

 

 

PL2: Beurger Award Lecture - Frank Hawthorne

 

To recognize mature scientists who have made contributions of exceptional distinction in areas of interest to the ACA. There are no restrictions as to nationality, race, sex, religion, or membership in the ACA. Awarded triennially in memory of Martin J. Buerger, Institute Professor Emeritus of M.I.T. and University Professor Emeritus of the University of Connecticut, a mineralogist who made major contributions to many areas of crystallography. Established in 1983. The first award was made in 1985.

 

 

 

3.1.1: Structural Biology of Pathogens: Cellular Interactions, Drug Resistance, and Immune Responses 1

 

This session will feature presentations describing a broad range of structural and functional studies related to pathogens, including some particularly timely topics. Pathogens will include viruses, bacteria, and protozoa; others such as fungi and yeast may be included. Special attention will be given to the following topics: molecular characterization of pathogen-glycan interactions, novel targets for antibiotic therapeutics, multidrug resistance of pathogenic microorganisms, malaria proteins mediating interactions with the vector/host, and proteins and complexes important in immune responses to pathogens. Applied science will be discussed in relation to the use of structure-based approaches for the development of novel antivirals and antimicrobials, broadly active vaccines, and immuno-therapeutics. Talks will be featured from invited speakers leading their fields, as well as selected abstracts from general submissions.

 

Organizers:

B.V.V. Prasad: [email protected]

Jean-Philippe Julien: [email protected]

Michael Becker: [email protected]

 

 

 

3.1.2: Best practices for building, refining, and analyzing ligands in macromolecular structures

 

The proper handling of ligand identification, placement, and refinement is at the core of important research in drug discovery, biomedical science and biotechnology. One motivation for this session is an alarmingly high number of structures being deposited in the PDB with dubious ligands. In this session we will review the current best practices regarding ligands in structural biology as well as review illustrative case studies from industry and academia. This session should be especially attractive to graduate students and postdocs in macromolecular crystallography.  

 

Organizers:

Anna Gardberg: [email protected]

Kurt Krause: [email protected] 

 

         3.1.2 Sponsored By: 


                         

 

 

 

 

 

3.1.3: Theoretical and Computational Crystallography - Present and Future Opportunities at the Structural Interface of Experiment and Theory 1

 

The theoretical and computational foundations of crystallography are critical to future progress in all branches of structural science. This session will focus on recent theoretical and computational developments in the prediction, modeling, determination, classification, and rational understanding of crystalline materials and their properties.

 

Organizers:

Branton Campbell: [email protected]  

Wenhao Sun: [email protected]

 

 

 

3.1.4: Next Generation Sources/SAS @ New Sources

 

Over the last couple of years, a number of new research infrastructures have arrived that give through the hugely increased flux and enhanced coherence, new opportunities to experiments using diffraction and scattering based methods. With more infrastructures engaged in or planning upgrades this session aims to highlight some of the facilities that have become available or are being planned. In addition, the latest advancements in SAS science exploiting the characteristics of these new sources will be showcased.

 

Organizers:

Marjolein Thunnissen: [email protected]

Ray Sierra : [email protected]  

 

 

 

3.1.5: Crystallography at Extreme Conditions

 

This session is meant to focus on experiments and challenges in crystallography measured at extreme pressure or temperature conditions. The study of matter at extreme conditions has lead to innovations in a wide variety of fields, such as geophysics and energetic materials, as well as advances in our understanding of chemical bonding relevant to planetary evolution and the formation of life. However, the application of crystallographic techniques at nonstandard pressures and temperatures brings a large suite of challenges to the enterprising scientist. In many cases, angular range is severely restricted, x-ray  transmission is low, sample size is microscopic, and/or diffraction peaks may greatly broaden. In some cases, the chemical interaction between the desired sample and its environment is unexpected or not well understood at the experimental conditions. Fortunately, the collection of data at synchrotron facilities serves to greatly enhance data quality, enabling in situ experimentation simultaneous with diffraction. Additionally, technological advances in experimental devices such as the diamond anvil cell and creative efforts in sample alignment have allowed for improved data collection, greatly enhancing the region of reciprocal space collected in samples such as these. However, these experiments are often heroic, and extracting crystal structures and understanding the physics of materials under extreme conditions is not a trivial endeavor. Here we mean to present the state of modern crystallography at high pressure and temperature conditions, and to explore the challenges of the technique going forward and victories that many have had thus far, particularly in the fields of physics, chemistry, and geoscience. We hope that this session will allow participants to get an insight into how they can push the boundaries of their data. Abstracts on high pressure, high temperature, or unique atmospheres will be considered.

 

Organizers:

Camelia Stan: [email protected]

Cristine Beavers: [email protected]

 

        3.1.5 Sponsored By: 


                








3.2.1: Structural Biology of Inherited Metabolic Disorders: Personalized Biochemistry and Biophysics

 

Inherited metabolic disorders are caused by genetic variations that negatively affect protein

function. Thousands of missense mutations in hundreds of proteins have been implicated as

causing disease, yet the structural and functional consequences are known for only a small

fraction of these cases (1). These mutant proteins represent a grand challenge to the structural

biology and biochemistry communities to establish the mechanistic linkage between pathogenic

variations and their physiological consequences, providing a rational basis for treatment or

preventive care (2). This session will bring together structural biology researchers - both

experiential and computational - to present the current state of the field of personalized

biochemistry and biophysics and discuss the challenges and opportunities for future research

aimed at developing high resolution personalized medicine.

 

Organizers:

Lesa Beamer: [email protected]

Jack Tanner: [email protected]

 

         3.2.1 Sponsored By: 


       



 

3.2.2: Crystallization on the International Space Station

 

The mission of the Center for the Advancement of Science in Space (CASIS) is to maximize the utilization of the International Space Station U. S. National Laboratory (ISS National Lab) for research and technology development aimed at benefitting humankind. CASIS supports collaboration with NASA, other government agencies, not for profit institutions, industry partners, and commercial entities committed to exploring the intellectual, technological and economic opportunities offered by space.

 

CASIS is actively engaged in supporting projects utilizing the ISS National Lab for a variety of life and physical sciences crystallization experiments - organic and inorganic molecules. In addition to supporting current flight projects CASIS is working with the user community to outline the basic science requirements for a long-term crystallization program aboard the ISS National Lab. 

 

This session will provide a forum for the following topics.  How to access the ISS National Laboratory platform for all types of crystal growth. Hardware, methodologies, capabilities for microgravity crystallization - organic and inorganic.  Physics and chemistry of microgravity crystallography. Results from recent (2015-2018) crystallography experiments aboard the ISS National Laboratory.  STEM Outreach Programs for space/ground crystallography.

 

Organizers:

Ken Savin: [email protected]

Marc Giulianotti: [email protected]

 

 

 

3.2.3: Theoretical and Computational Crystallography - Present and Future Opportunities at the Structural Interface of Experiment and Theory 2

 

The theoretical and computational foundations of crystallography are critical to future progress in all branches of structural science. This session will focus on recent theoretical and computational developments in the prediction, modeling, determination, classification, and rational understanding of crystalline materials and their properties.

 

Organizers:

Peter Khalifah: [email protected]

Wenhao Sun: [email protected]

 

 

 

3.2.4: Scattering Strategies in Biomembrane Research

 

The structure and function of cellular membranes in biology remains among the most challenging areas in both the life and physical sciences. Cellular membranes are complex, mesoscopic assemblies that are much more than simple permeable barriers or passive matrices for proteins; rather, they play an active role in many cellular functions, and they have a rich metabolism of their own. An understanding of cell membrane structure, dynamics and maintenance is pivotal for understanding its biological functionality. For biophysical investigations of biomembranes and small membrane-bound molecules, it is important to consider perturbations that might be caused by extrinsic probes. For example, the use of bulky lipid fluorophores can in some cases alter the physical properties of the bilayer. Neutron and X-ray scattering techniques are intrinsically probe-free and therefore offer a means to overcome this issue. Moreover, significant strides have been made in recent years to develop model membrane systems that more faithfully mimic the properties of biological membranes, and which lend themselves to investigation via scattering techniques. This session will allow ideas to be shared regarding the development new strategies and experimental platforms to investigate biological membranes using probe-free techniques.

 

Organizers:

Frederick Heberle: [email protected]

Drew Marquardt[email protected]

Maikel Rheinstadter: [email protected]

 

 

 

3.2.5: Mineralogical Crystallography

 

This session aims to highlight geoscience research in which crystal structure determination was a key component. Abstracts are encouraged on, but not limited to: crystal chemistry, petrology, mineral physics, time-resolved spectroscopy, biomineralization, and mineralogy in medicine.

 

Organizers:

Nichole Valdez: [email protected]

Aaron Celestain: [email protected]

 

 

PS3: Poster Session 3

Organizers:

Louise Dawe:[email protected]   

David Rose: [email protected] 

 

 

 

3.3.1: Diversity & Inclusivity

 

This session includes talks on strategies related to diversity and inclusion. Approaches may involve programming through workshops, mentoring resources, and non-profit alliances. The overall focus is to broaden the discussion of diversity and increase the participation of underrepresented groups in academia, industry, and government, and to engage students early in their scientific careers. Those who submit abstracts to this session may still submit a second abstract to other sessions at no additional fee.

 

Organizers:

Bernard Santarsiero: [email protected]

 

       3.3.1 Sponsored By: 


     

 

PL3: Etter Award Lecture - Jason McLellan

 

To recognize outstanding achievement and exceptional potential in crystallographic research demonstrated by a scientist at an early stage of their independent career. The award is established to honor the memory of Professor Margaret C. Etter (1943-1992), who was a major contributor to the field of organic solid-state chemistry. Her work particularly emphasized the use of hydrogen bonds and co-crystals. In addition to a large body of experimental work she was the major force in devising a set of rules known as graph sets to describe hydrogen bonds in a way that revealed similarities between structures without being tied up in the crystallographic details. Her experience teaching at an undergraduate institution and in working in both an industrial and academic setting gave her an unusually broad perspective from which to mentor students and to support and encourage colleagues. She had a love for people, for science, and especially for people who do science, that we honor. Established in 2002.

 

 

 

4.1.1: Structural Biology of Pathogens and Drug Resistance 2

 

This session will feature presentations describing a broad range of structural and functional studies related to pathogens, including some particularly timely topics. Pathogens will include viruses, bacteria, and protozoa; others such as fungi and yeast may be included. Special attention will be given to the following topics: molecular characterization of pathogen-glycan interactions, novel targets for antibiotic therapeutics, multidrug resistance of pathogenic microorganisms, malaria proteins mediating interactions with the vector/host, and proteins and complexes important in immune responses to pathogens. Applied science will be discussed in relation to the use of structure-based approaches for the development of novel antivirals and antimicrobials, broadly active vaccines, and immuno-therapeutics. Talks will be featured from invited speakers leading their fields, as well as selected abstracts from general submissions.

 

Organizers:

B.V.V. Prasad: [email protected]

Jean-Philippe Julien: [email protected]

Michael Becker: [email protected]

 

 

 

4.1.2: Minding the Gap: MX to XFEL / Open Science

 

The serial crystallography (SX) method, originally developed at X-ray free-electron lasers (XFELs) to examine sub-micron protein crystals has been quickly adapted for use at synchrotron beamlines; new sample delivery methods, both fixed target and injector based developed at synchrotron facilities has resulted in a wider range of sample environments available at XFELs. The drive to develop common data processing frameworks for multicrystal single shot and oscillation experiments has also caused a major revival in crystallographic software developments. This session will explore the interplay between XFELs and synchrotrons and how it contributes to advances in X-ray sourced based macromolecular crystallography.

 

Organizers:

Jenifer Wierman: [email protected]

Ana Gonzalez: [email protected]

 

 

 

4.1.3: Cool Structures

 

This session will focus on anything that a researcher thinks might be cool, neat and interesting crystallographically, particularly structurally. The session has a particularly proud history of supporting students, and giving them the opportunity to present their work, which is generally 15-20 minutes, with only contributed abstracts taken.

 

Organizers:

Shao-Liang Zheng: [email protected]

SuYin Grass: [email protected]

 

 

 

4.1.4: Application of SAS to Complex Mixtures

 

A prerequisite for detailed SAS analysis is having a well described ideally monodisperse sample for data collection. Inline size-chromatography SAS is one method of removing aggregates or separating different species just before the SAS measurement. It has been attracting considerable attention over the last several years in the SAS community and has been implemented in one way or another at most SAS beamlines at synchrotrons around the world. This session is dedicated to methods - such as chromatography coupled SAS but not limited to it - on how to deal with the non-ideal but often more realistic situation of a mixed sample in small angle scattering.

 

Organizers:

Thomas Weiss: [email protected]

Nigel Kirby: [email protected]

 

 

 

4.1.5: Operando & In-Situ Studies

 

Operando and in situ X-ray or Neutron scattering experiments provide insights on how materials behave undergoing the processes of interest, e.g. charging and discharging of a battery cell, melting and recrystallizing of mixed solids, photocatalysis, tuning of environmental variables such as temperature, pressure, humidity, stress, etc. This session welcomes all abstracts in any research field that applies in situ methods to probe material structures or structural changes. Abstracts in novel instrument designs and applications for in situ processes and inline data driven experimental parameter control protocols are especially welcome.

 

Organizers:

Wenqian Xu: [email protected]

Sanjit Ghose: [email protected]

 

 

 

4.2.1: Regulation of Protein Function by Shape Shifting

 

Many proteins have a primary sequence that can assemble or reassemble to vastly different folded structures. These different assemblies can readily interconvert and accommodate different capabilities. This phenomenon is particularly intriguing for multi-domain proteins for which hinge motions cause alternate monomer conformations that dictate different assemblies. Two notable examples are porphobilinogen synthase for which alternate oligomers provide allosteric regulation of enzyme function; and the Ebola virus VP40 protein for which alternate oligomers account for alternate essential viral functions. This session will explore other shape shifting proteins, their structure-directed functions, and the biological triggers of structural transformation. We want to hear about your multi-structure molecules.

 

Organizers:

Erica O Saphire: [email protected]

Emilia C Arturo: [email protected]

Eileen K. Jaffe: [email protected]

 

      4.2.1 Sponsored By: 

    

           



 

4.2.2: General Interest 2

 

General Interest sessions are the forum for topics of broad interest to the crystallographic community or for presentations that do not fit the specific theme of other sessions. All presentations are selected from submitted abstracts.

 

Organizers:

Michael Takase: [email protected]

Laura Van Staalduinen: [email protected]

 

 

 

4.2.3: Engaging Undergrads with Crystallographic Research

 

This session is focused on how to effectively engage undergraduate students in investigations that involve protein or small-molecule crystallography.  Specific topics may include student training and mentoring in research that involves crystallography, the integration of crystallographic research into the teaching curriculum, strategies for faculty professional success in research and teaching involving X-ray crystallography, approaches towards building crystallography research infrastructure impacting undergraduates, and effective involvement of undergraduates at synchrotron facilities.

 

Organizers:

Joe Tanski: [email protected]

Rachel Powers: [email protected]

 

       4.2.3 Sponsored By: 


     

 

4.2.4: Powder Diffraction of Industrial and Pharmaceutical Materials

 

This session will focus on recent advances in the methodology for solving crystal structures from powders and results on industrially-relevant materials and processes.  Powder diffraction undertakes many roles in the pharmaceutical and other industries. Besides traditional crystal phase identification, it is used in the study of solid-state reactions, phase behavior under industrial processing, lead optimization, salt and co-crystal screening for the development of solid drug delivery forms, polymorphism studies, solid-state studies involving solvation/desolvation, etc. Crystal structure determination from powders is very valuable when single crystals cannot be obtained, or the properties of single crystals and powders may differ. Powder diffraction studies are often carried out in combination with other solid-state techniques, such as NMR, FT-IR spectroscopy, DFT calculations, thermogravimetry and differential scanning calorimetry, among others.

 

Organizers:

Silvina Pagola[email protected]

Jim Kadak: [email protected]   

 

      4.2.4 Sponsored By: 



      

 

 

 

4.2.5: Crystallography in Synergy with Computation, Spectroscopy and Synthesis 

 

This session will stress the advantages of multidisciplinary approaches to solving complex chemical and physical problems. The synergy among crystallography, computational modelling, NMR and other spectroscopic techniques, and less commonly used techniques such as neutron inelastic scattering will be put front and center. That chemical synthesis can also be informed by these characterization techniques is well established, and presentations emphasizing this interactivity will be welcome. We hope, once again, to emphasize the importance for crystallographers of using a multidisciplinary approach and to stress the importance that crystallographic results have in the study of chemical and biochemical reactivity. 

 

Organizers:

Larry Falvello: [email protected]

Alberto Albinati: [email protected]