Session List

We are thrilled to present a diverse and dynamic lineup of sessions that promise to engage, enlighten, and inspire. Our thoughtfully selected sessions encompass a diverse array of topics within the field of structural science. Whether you're a seasoned professional seeking the latest insights or a newcomer eager to explore emerging fields, ACA2024 has something for everyone. Join us as we bring together experts, visionaries, and enthusiasts to foster collaboration, share expertise, and chart the course for a future defined by progress. Get ready for an immersive experience that transcends boundaries and propels us into the next era of knowledge exchange.

Please note the following with regard to the following list of sessions:

  • Morning sessions (AM) will run from 8:30 AM MT to 11:30 AM MT with a scheduled coffee break at approximately 10:00 AM MT. 

  • Lunch sessions will occur between 11:45 AM MT to 2:00 PM MT based on the amount of time needed. Specific times will be posted closer to the conference.

  • Afternoon sessions (PM) will run from 2:00 PM MT to 5:00 PM MT with a scheduled coffee break at approximately 3:00 PM MT. 

  • Evening sessions (EVE) will run from 7:30 PM MT to 9:00 PM MT.

Please note that the schedule is subject to change. We reserve the right to modify session timings, speakers, and any other aspects of the event schedule as necessary. Any alterations will be communicated promptly to all participants.

Monday, July 8, 2024

Morning Sessions

  • Chair(s): Allen Oliver, Louise Dawe, Christine Zardecki, Charles Bou-Nader

    A fundamental challenge for specialists in any field is communicating the importance and intricacies of their work to those outside of it. The 2024 Transactions Symposium is designed to address two pivotal themes concerning the promotion and understanding of structural science. First, pedagogical approaches of teaching structural science, emphasizing the methodologies that resonate most effectively with learners will be explored. Second, strategies to captivate the interest of non-specialists, including funding agencies and the general public, will be considered. By reflecting on what makes experts passionate about their field and what they wish others understood about it, the symposium aims to drive actionable insights into bridging gaps and fostering a broader appreciation for structural science.

  • Chair(s): Vignesh Kasinath, Shyamal Mosaloganti

    SIG Sponsor(s): CryoEM

    This session will feature talks consisting both of biological and technological advances in macromolecular structure determination in the cellular context.

  • Chair(s): Nicholas Sauter, Brent Nannenga

    SIG Sponsor(s): Best Practices for Data Analysis and Archiving

    Could you prove your work is valid several years later? Could you recreate the figures? Is it possible to archive the raw data, along with enough description (metadata) so the whole calculation can be reproduced? What if the data are complex and include complementary information like spectroscopy? Our morning session will focus on the resources available for data storage and validation of results, while the afternoon will seek to present detailed experiences. Does science improve if every last bit is shared?

  • Chair(s): Saul Lapidus, Ashfia Huq,

    SIG Sponsor(s): Materials/Neutrons/Powder

    Co-Sponsor(s): Small Angle Scattering

    The development of increasingly complicated materials and devices has led to a need of an understanding of the behavior of these system in the conditions that they will operate under. As such research into these has required the development of in situ/operando diffraction techniques to monitor and track changes in crystalline structure, amorphous behavior, and morphology. These conditions can vary from variable temperature, electrochemical cycling, gas flow, catalysis, and many others, and may combine these environments in different combinations. This session is aimed at providing a forum for presentation of advances in combing different in situ environments along with different methodologies of structural characterization (from diffraction to spectroscopy to microscopy) over a wide range of length scales (short range amorphous to crystalline to particle morphology). Submissions are welcome from various disciplines and fields, as these approaches may be wide-ranging in their application.

  • Chair(s): Nichole Valdez, Helen Berman

    SIG Sponsor(s): Small Molecule

    Co-Sponsor(s): Biological Macromolecules

    Advancements in visualization technology have created new ways for scientists to present dynamic processes and structural data in engaging and helpful formats. Visualization techniques are widely applicable to rendering molecular interactions, animating chemical reactions, visualizing small molecule and protein structures, aiding in structure-based drug design, and illustrating crystallography principles. This session focuses on communicating science through visualization using the latest developments in 2D and 3D methods. Techniques of interest include but are not limited to, animation and rendering techniques, lighting and coloring effects, computer-aided design, VR, AR, and 3D printing.

  • Chair(s): Suzette Pabit, Kushol Gupta

    SIG Sponsor(s): Small Angle Scattering

    Co-Sponsor(s): BioMac

    Characterization, validation, and optimization of emerging biologics, including therapeutic antibodies, viral vectors, and mRNA LNPs, requires comprehensive approaches to solution structure and dynamics. Small angle X-ray and Neutron Scattering (SAXS/SANS) provides information that is highly complementary to other well-established structural approaches, including electron microscopy, light scattering, analytical ultracentrifugation, and molecular dynamics. This session invites speakers who will showcase problems that employ multifaceted approaches to determine the properties of emerging biologics.

Lunch Session

  • Chair(s): Alex Erickson, Kenny Childers

    SIG Sponsor(s): YSIG

    In this session, students and postdocs present their research in short, 3-minute presentations. Presenters will prepare a single slide with no animations and discuss their work in a relaxed setting while providing young scientists an opportunity to summarize their results for ACA members across all disciplines. Presenters are strongly encouraged to make their presentation approachable for all scientists outside of their field. This session invites submissions from all structural scientists.

Afternoon Sessions

  • Chair(s): Allen Oliver, Louise Dawe, Christine Zardecki, Charles Bou-Nader

    A fundamental challenge for specialists in any field is communicating the importance and intricacies of their work to those outside of it. The 2024 Transactions Symposium is designed to address two pivotal themes concerning the promotion and understanding of structural science. First, pedagogical approaches of teaching structural science, emphasizing the methodologies that resonate most effectively with learners will be explored. Second, strategies to captivate the interest of non-specialists, including funding agencies and the general public, will be considered. By reflecting on what makes experts passionate about their field and what they wish others understood about it, the symposium aims to drive actionable insights into bridging gaps and fostering a broader appreciation for structural science.

  • Chair(s): David Taylor, Ed Eng

    SIG Sponsor(s): cryo-EM

    Developments in cryo-EM and cryo-ET imaging technology have revolutionized our ability to see the atomic structure of proteins and biological macromolecules in the cellular environment. However, the success of many research projects remains limited by issues of sample yield, stability, and orientation bias. In this session, we explore and discuss new developments in sample preparation technologies that address current challenges and open doors to exciting areas of biology.

  • Chair(s): Nicholas Sauter, Brent Nannenga

    SIG Sponsor(s): Best Practices for Data Analysis and Archiving

    Could you prove your work is valid several years later? Could you recreate the figures? Is it possible to archive the raw data, along with enough description (metadata) so the whole calculation can be reproduced? What if the data are complex and include complementary information like spectroscopy? Our morning session will focus on the resources available for data storage and validation of results, while the afternoon will seek to present detailed experiences. Does science improve if every last bit is shared?

  • Chair(s): Susana Teixeira, Silvia Russi, Sai Venkatesh Pingali

    SIG Sponsor(s): Light sources

    Co-Sponsor(s): SAS

    Complex environments enable the study of biomacromolecules and biomaterials in extreme natural or application-based conditions like for biomaterial processing, bioenergy, organisms in deep sea, space exploration. This session will cover scientific talks for the biological community from light and neutron user facilities requiring a range of complex environments that facilitate changes to pH, ionic strength, solvents, pressure, and temperature including in-situ and in-vivo measurements of biomolecules – from relatively simple formulations to whole cells.

  • Chair(s): Larry Falvello, Victor Young

    SIG Sponsor(s): Service

    Co-Sponsor(s): Light Sources, Small Molecule

    The changing role of home-built software and hardware is the theme of this half-day session. Purpose-built in-house software for crystallography has spanned the entire range of uses, from specific tasks such as data format-changing to more global data- and structure-analysis packages. Crystallographic software has a singular characteristic in that a large fraction of published crystallographic results are obtained using software that originated in active crystallography laboratories. Less famous are applications prepared locally to improve work flow and data security. Similarly, hardware ranging from simple gadgets for crystal handling and mounting all the way to diffractometers for use with unique radiation sources have been custom-made for crystallographic applications. The conditioning of sample environments, including the creation of extreme conditions, has been an area of active development, as has the development of systems for diffraction under in situ conditions. This session will welcome contributions from all who create and/or adapt software or hardware for crystallographic use. Innovative applications for any diffraction experiment in the home laboratory, at a synchrotron or a neutron source may be presented. As in the previous editions of this topic, contributions of a historical nature will be welcome.

  • Chair(s): George Lountos, Aaron Robart

    SIG Sponsor(s): Biological Macromolecules

    Co-Sponsor(s): YSIG

    The Hot Structures session will feature talks primarily selected from submitted abstracts describing the newest results from structural studies of biologically important macromolecules. Submissions are welcome that describe high-impact structures which provide new insights into biological phenomena, structure-function relationships, and methods development. Studies may include the use of X-ray crystallography, XFEL, Cryo-EM, Small Angle X-ray Scattering, or hybrid methods including those that incorporate predictive / computational modeling.

Monday Sponsors

Tuesday, July 9, 2024

Morning Sessions

  • Chair(s): Tim Stachowski, Tori Drago

    SIG Sponsor(s): General Interest

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

  • Chair(s): MarianSzebenyi, Brian Toby

    SIG Sponsor(s): Light Sources

    Co-Sponsor(s): YSIG

    Parasites to Prominence: Stories about the development of facilities (storage ring, X-ray laser, electron microscope, etc.) and related technology (detector, cryocooling, goniometer, software, etc.) from research projects to national resources.

  • Chair(s): Chelsy Chesterman, Eddie Pryor

    SIG Sponsor(s): Industrial

    Co-Sponsor(s): BioMac

    A full-day session dedicated to exploring various topics in Structural Biology in Pharma/Biotech. We invite submissions on any topic related to the industrial application of structural biology, including but not limited to: vaccines, CART-T, TPD/TPS glues, macrocyclic peptides, induced proximity, and FBDD. Additionally, we encourage presentations that utilize a variety of techniques such as x-ray, NMR, EM, in silico, and biophysics. Technology or methods development in these areas is also of interest. Accepted abstracts will be grouped and assigned to a specific session.

  • Chair(s): Alexis Rohou, Joey Davis

    SIG Sponsor(s): CryoEM

    Many challenges remain in the quest to fully unlock the potential of cryoEM for structural studies of biology. How can we resolve fine details of dynamic, flexible assemblies? What is the best way to study the structures of macromolecules in their native, cellular context? How can we control our instruments more efficiently for high-throughput, automated high-resolution imaging? What are the optimal methods for obtaining and validating accurate and reliable atomic models for molecules of interest? For these and many other challenges, the development of improved computational methods and algorithms remains a key stone of the field. This session will cover some of the latest computational work in cryoEM and cryoET.

  • Chair(s): Lee Daniels, Sandy Eagle

    SIG Sponsor(s): Small Molecule

    Co-Sponsor(s): Service, Canadian

    Have you collected data using a drone, solved a structure with your smartphone, or crystallized with sound waves from your guitar? We want to hear about it. We've all heard about solvent evaporation and direct methods - what about the other tools you use? Let us know about finding phase transitions, wrangling twins, or paying for your research with Dogecoin. How did you get the difficult data from that diamond-anvil cell? The Tips and Tricks session is your chance to share those quirky and ingenious tricks you use that you didn't learn from a lecture on structure factors. Software - do you use an app or a program in a way that others should know about? Or maybe you've written one to share? Structure solutions - how do you deal with tough problems? Twins? - solving, refining? Dealing with other tricky problems. What about electron diffraction? Combining crystallography with other techniques - spectroscopy? microscopy? (drones?) And we're not limited to crystallography - How do you organize your samples, your data, your results? How do you pay for your stuff? What about presentations? Do you have a unique way to prepare slides, charts, movies? And yes, we still want to hear about ways to grow crystals, handle and mount them, and make other measurements on them.

    Tips and Tricks presentations will be short - possibly 5, maybe up to 15 minutes - so we get to enjoy as many of them as possible.

  • Chair(s): Branton Campbell, Jared Allred

    SIG Sponsor(s): Materials/Neutrons/Powder

    Co-Sponsor(s): General Interest

    This session will focus on current developments in the theoretical and computational crystallography to the prediction, modeling, determination, and rational understanding of crystalline materials and their properties.

Lunch Session

  • Details coming soon!

Afternoon Sessions

  • Chair(s): Tim Stachowski, Niko Vlahakis

    SIG Sponsor(s): General Interest

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

  • hair(s): Cora Lind-Kovacs, Marco Mazzorana

    SIG Sponsor(s): Light Sources

    Co-Sponsor(s): YSIG

    Forging the FutureUpgrades and innovations now in progress - what they are and how they will affect future structural research.

  • Chair(s): Sandra Gabelli, Elizabeth Sprague

    SIG Sponsor(s): Industrial

    Co-Sponsor(s): BioMac

    A full-day session dedicated to exploring various topics in Structural Biology in Pharma/Biotech. We invite submissions on any topic related to the industrial application of structural biology, including but not limited to: vaccines, CART-T, TPD/TPS glues, macrocyclic peptides, induced proximity, and FBDD. Additionally, we encourage presentations that utilize a variety of techniques such as x-ray, NMR, EM, in silico, and biophysics. Technology or methods development in these areas is also of interest. Accepted abstracts will be grouped and assigned to a specific session.

  • Chair(s): KeithTaddei, Yu Li

    SIG Sponsor(s): Materials/Neutrons/Powder

    This session will focus on topological, quantum, and correlated electron materials broadly, emphasizing the effects of structure and symmetries in generating novel properties and emergent phases. Example topics include time reversal symmetry breaking and magnetism; altermagnetism; symmetry protected topological phases; unconventional superconductivity; quantum spin liquids; Kagome/triangular/honeycomb lattices; and skyrmion materials.

  • Chair(s): Tamir Gonen, Brent Nannenga

    SIG Sponsor(s): MicroED

    Co-Sponsor(s): Cryo EM, Service

    The use of MicroED is expanding with many institutions adding the technique to their suite of structure determination methods. MicroED uses much of the same infrastructure as other cryo-EM modalities, therefore many user facilities can offer MicroED along side single-particle cryo-EM and cryo-ET. This session will focus on experiences integrating and applying MicroED, as well as best practices to ensure that all cryo-EM methods can coexist.

  • Chair(s): Yinka Olatunji-Ojo, Joe Tanski

    SIG Sponsor(s): Small Molecule

    Co-Sponsor(s): General Interest, Canadian

    This session is focused on how to effectively engage students at any level with crystallography in teaching and research. Specific topics may include student training and mentoring in research that involves crystallography, pedagogy and building crystallography teaching infrastructure, strategies for faculty professional success in research involving crystallography, effective involvement of students at synchrotron facilities, and approaches towards instrument acquisition and maintaining resources for engaging students with crystallography.

Evening Sessions

  • Chair(s): Eddie Pryor, Melanie Adams Cioaba, Kristofer Gonzalez-DeWhitt

    SIG Sponsor(s): Industrial

    Co-Sponsor(s): BioMac

    This session is designed for students, postdocs, and early career scientists interested in exploring diverse career paths. We will showcase speakers representing academia, industry, and government across diverse roles. This session is designed to be interactive, and we strongly encourage audience participation.

Tuesday Sponsors

Wednesday, July 10, 2024

Morning Sessions

  • Chair(s): Yinka Olatunji-Ojo, Joe Tanski

    SIG Sponsor(s): Small Molecule

    Co-Sponsor(s): General Interest, Canadian

    This session is focused on how to effectively engage students at any level with crystallography in teaching and research. Specific topics may include student training and mentoring in research that involves crystallography, pedagogy and building crystallography teaching infrastructure, strategies for faculty professional success in research involving crystallography, effective involvement of students at synchrotron facilities, and approaches towards instrument acquisition and maintaining resources for engaging students with crystallography.

  • Chair(s): Yuan He, Melanie Ohi

    SIG Sponsor(s): CryoEM

    RNA, DNA, and nucleic acid-protein complexes remain challenging targets for structural biology. Nucleic acids are often structurally flexible even when complexed to their protein partners and it can be difficult to purify large enough quantities of stable nucleic acids or nucleic-protein complexes for conventional structural approaches such as NMR or X-ray crystallography. This session focuses on presenting approaches and techniques for using single particle cryo-EM to determine structures of dynamic nucleic acids and nucleic-protein complexes.

  • Chair(s): Tim Stachowski, Marcus Fischer

    SIG Sponsor(s): Biological Macromolecules

    Co-Sponsor(s): General Interest

    Proteins are notorious shapeshifters that change conformations in response to environmental cues like temperature, pH, and ligand binding. This flexibility often underpins biological processes like enzyme catalysis and signal transduction. Recent advances in technologies and modeling algorithms move beyond understanding protein structures as static images and closer to generating molecular movies of proteins throughout their active lifecycles. In turn, these experiments can reveal new opportunities to modulate protein function for therapeutics and biology. This session will focus on emerging methods for exploring protein flexibility, examples where flexibility reveals functional insights, and applications in modulating proteins and drug design.

  • Chair(s): Stephen Meisburger, Derek Mendez

    SIG Sponsor(s): Best Practices for Data Analysis and Archiving

    Co-Sponsor(s): Light Sources

    Data analysis techniques in the structural sciences are changing rapidly. State-of-the-art machine learning methods are increasingly used to extract subtle information from large electron and X-ray datasets. Of special note are new techniques for the study of conformationally heterogeneous systems, for instance in single particle cryo-EM and time-resolved X-ray crystallography. In parallel, data analysis increasingly takes advantage of advanced hardware, such as supercomputing resources and GPU-accelerated processing, and these developments will be essential to the next generation electron and X-ray sources with significantly increased data rates. This session explores the latest innovations in data analysis across structural techniques: cryo-EM, cryo-ET, micro-ED, X-ray scattering, and X-ray diffraction. In particular, we highlight challenges and opportunities for data analysis created by modern methods and advanced computing infrastructure, as well as new structural insights these techniques enable.

  • Chair(s): Huiwen Ji, Rebecca Smaha

    SIG Sponsor(s): Materials/Neutrons/Powder

    When designing and optimizing next-generation energy materials, careful structural characterizations are crucial for establishing precise structure-property relationships. This session invites works that utilize or develop structural characterization solutions for emerging energy materials in batteries, fuel cells, photovoltaics, thermoelectrics, piezoelectric devices, etc. Possible topics may focus on the steady-state or time-resolved structures of crystalline, disordered, or amorphous materials to correlate with performance or degradation.

  • Chair(s): Brandon Mercado, Shao-Liang Zheng

    SIG Sponsor(s): MicroED

    Co-Sponsor(s): Best Practices for Data Analysis and Archival

    MicroED has been at the forefront of expanding the possibilities of structure models accessible through crystallography. Numerous efforts have been dedicated to enhancing the pipeline for delivering these results. This session will explore advancements in automation, covering a wide range of topics. We will delve into general improvements in data collection strategies, as well as groundbreaking developments in truly autonomous, high-throughput approaches to MicroED. Additionally, we will discuss simultaneous compositional analysis of complex samples, further broadening the capabilities of MicroED. Join us in this session to discover the latest automation advances in microcrystal electron diffraction.

Lunchtime Sessions

  • Chair(s): Sandra Gabelli, Callie Saeher

    Please note that pre-registration is required and the max capacity for this event is 20 attendees.

    #IAmRemarkable is an initiative empowering women and other underrepresented groups to celebrate their achievements in the workplace and beyond. Its goal is to improve the self promotion motivation and skills and challenge the social perception around self promotion. Many of us struggle to talk about and celebrate our accomplishments often due to cultural and gender norms. Through our facilitator sessions, #IAmRemarkable helps thousands of people learn the importance of self-promotion in their personal and professional life.

Afternoon Sessions

  • Chair(s): Tim Stachowski, Marcus Fischer

    SIG Sponsor(s): Biological Macromolecules

    Co-Sponsor(s): General Interest

    Proteins are notorious shapeshifters that change conformations in response to environmental cues like temperature, pH, and ligand binding. This flexibility often underpins biological processes like enzyme catalysis and signal transduction. Recent advances in technologies and modeling algorithms move beyond understanding protein structures as static images and closer to generating molecular movies of proteins throughout their active lifecycles. In turn, these experiments can reveal new opportunities to modulate protein function for therapeutics and biology. This session will focus on emerging methods for exploring protein flexibility, examples where flexibility reveals functional insights, and applications in modulating proteins and drug design.

  • Chair(s): Michal Hammel, Sarah Keane

    SIG Sponsor(s): Small Angle Scattering

    Co-Sponsor(s): BioMac

    This session will highlight the utility of small-angle scattering and in combination with other structural techniques for determining nucleic acid structures and their protein complexes. The session will also highlight success stories where small-angle scattering was used to validate predicted RNA, RNA-protein, or DNA-protein structures. Studies may also include X-ray crystallography, XFEL, CryoEM, or hybrid methods, including those incorporating predictive/computational modeling.

  • Chair(s): Joseph Ferrara, Christos Malliakas, Ana Pakzad

    SIG Sponsor(s): MicroED

    Co-Sponsor(s): Small Molecule

    MicroED is becoming a mainstream technique for solving structures intractable to conventional X-ray diffraction techniques. Examples of materials that yielded to MicroED include MOFs, natural products and many other materials only available as a powder. In this half-day session, we will explore current trends in micro-electron diffractions and best practices for data collection, processing and refinement.

  • Chair(s): Art Lyubimov, Daniel Paley

    SIG Sponsor(s): Light Sources

    Co-Sponsor(s): Best Practices in Data Analysis

    Serial crystallography has emerged as a powerful method for structure determination. At X-ray free electron lasers, "diffraction before destruction" is now a standard technique for studying macromolecules, with unique applications in time-resolved experiments ranging from seconds to femtoseconds. Synchrotron and electron radiation offer new opportunities for growing the availability and scope of serial data collection. The field is also finding applications outside of macromolecular structures, with growing interest in serial diffraction for chemical/small-molecule crystallography. These diverse methods and applications are driving the development of new techniques for sample delivery, instrumentation, and data processing. Especially, the growing data rates in the field (currently in the kHz range at XFEL sources) present an opportunity for applying modern tools in AI and high-performance computing. This session highlights these new advances and the future prospects for serial crystallography as a modern and growing structural technique.

  • Chair(s): Dan Decato, Josh Chen

    SIG Sponsor(s): Service

    Co-Sponsor(s): Small Molecule, Young Scientist, BioMac

    Peer review is an indispensable part of the scientific publishing world. However, it is often overlooked in STEM programs, leaving many researchers to tackle this crucial process with limited training. As a result, they may lack formal education on how to effectively conduct a review, which can ultimately lead to their assignment as the dreaded "reviewer 2." This session aims to address various aspects of peer review, including how to handle requests, deciding whether to accept or reject manuscripts, providing constructive criticism, understanding the role of editors, distinguishing major and minor considerations, maintaining rational reviews, and effectively dealing with feedback.

  • Chair(s): Jue Liu, Luca Izzolino, Raul Castanda

    SIG Sponsor(s): Materials/Neutrons/Powder

    Co-Sponsor(s): Small Molecule

    This session aims to showcase work involving computational and experimental methods alternative to traditional single-crystal X-ray diffraction for predicting and solving crystal structures of organic small molecules and functional inorganic compounds, with the goal of demonstrating their impact on real-life projects. Examples include but are not limited to, three-dimensional electron diffraction, small angle scattering, crystal structure prediction (CSP) methods, solid-state NMR techniques, structure solution from powder diffraction and total scattering data, and the combination of any of these techniques.

Evening Sessions

  • Chair(s): Matthew Brown, Scott Lee

    SIG Sponsor(s): Service

    Co-Sponsor(s): Powder, Small Molecule, Young Scientist, Canadian, BioMac

    Is your structure too poor to publish? What compromises would you have to make to publish your "low quality" structure? Do you have some less then ideal powder data that you still think you can make something useful with? If you have ever asked yourself these questions, then share your problems, insights, structures, and advice with the crystallography community. This is a great opportunity for young crystallographers to share their work, where they can interact with a friendly audience, who with years of experience will provide constructive advice. Problems might include charge imbalance or other chemical issues, poor resolution or data completeness, complicated disorder, highly restrained models, unexplained residual electron density, suspicious of an incommensurate structure, etc. 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. This session is open to non-small molecule talks; Powder, protein and other types of crystallography are welcome!

Wednesday Sponsors

Thursday, July 11, 2024

Morning Sessions

  • Chair(s): Aaron Brewster, Jeney Wierman

    SIG Sponsor(s): Best Practices in Data Analysis

    Co-Sponsor(s): Light Sources, BioMac, Materials/Neutrons

    Over the last four years the field of structural biology, for proteins in particular, has experienced a profound change. At synchrotron facilities data is acquired at a breath-taking speed, leaving many a scientist struggling to keep pace with data handling and analysis. The data resolution achieved with cryo-EM has now safely moved into a range that makes atomic model building routine and cryo-imaging as a whole now enables the study of large, macromolecular machines in situ. Lastly, the unprecedented quality of protein models from structure prediction has opened new ways of conducting research in structural biology. Both the prediction of structures and the interpretation of large amounts of high-resolution data, require sophisticated computational models. Hence, machine learning (ML) and artificial intelligence (AI) are now close to becoming standard tools for structural biologists to conduct their data analysis and interpretation. In this session we will look at the most recent ML and AI tools and developments that could now be in any structural biologists data analysis repertoire.

  • Chair(s): Daniel Olds, Benjamin Frandsen

    SIG Sponsor(s): Materials/Neutrons/Powder

    By utilizing both the Bragg and diffuse scattering, total scattering methods, such as pair distribution function (PDF) analysis, probe both the local and long range features of a material. This session will highlight recent applications and method developments in both neutron and x-ray total scattering. Topics encouraged to apply include studies of complex and disordered materials, functional materials, in situ and operando studies, and methods developments from instrumentation to analysis software. As this discipline continues to grow in impact across diverse fields, this session will be useful for newcomers and experienced practitioners alike.

  • Chair(s): Michael Martynowcyz, Dominika Borek

    SIG Sponsor(s): MicroED

    Co-Sponsor(s): Macromolecular Microcrystal Electron Diffraction

    Building on the interplay between cutting-edge electron microscopy and minuscule crystal sizes, Macromolecular Microcrystal Electron Diffraction (MicroED) has become an indispensable tool for high-resolution structure determination of biological macromolecules. This session delves into unveiling newly determined macromolecular structures facilitated by MicroED, and exploring the latest innovations and improvements in MicroED methodologies. Attendees will gain insights into the capabilities and future directions of MicroED in solving complex biological structures, from advances in data collection and processing to tackling previously intractable problems in structural biology.

  • Chair(s): Darya Marchany-Rivera, Sarah Bowman

    SIG Sponsor(s): Biological Macromolecules

    Co-Sponsor(s): Light Sources

    Metals play critical roles in biology, conferring unique reactivity, enabling challenging chemistry and redox reactions, and functioning as structural scaffolds. It has been estimated that 30-50% of all proteins bind a metal or metal cofactor. Metals present both opportunities and challenges in structure determination. In this session, we will explore the range of structural techniques used to interrogate metallobiomolecules, including diffraction-based, CryoEM, and computational methods.

  • Chair(s): Michae lBodensteiner, Brian Patrick

    SIG Sponsor(s): Small Molecule

    Co-Sponsor(s): Best Practices for Data Analysis and Archiving, Service, Canadian

    This session invites all scientists, from practitioners to method developers. In particular, end-users of any kind of quantum crystallographic technique are most welcome to share their experiences and results. Topics may include all theoretical and practical aspects of the application of quantum mechanics to the study of crystalline materials. Presenters are encouraged to show how these methods enable or improve agreement with experimental data to gain a deeper understanding of the material under study. Research areas may range from inorganic solids and networks, to organic and organometallic compounds, to large structures such as proteins.

  • Chair(s): Shuo Qian, Jan Ilavsky

    SIG Sponsor(s): Small Angle Scattering

    Co-Sponsor(s): Light Sources

    Recent and upcoming facility upgrades of many synchrotron and neutron sources, as well as recent advancements of high-brightness home X-ray sources, provide great opportunities for advances in small-angle scattering instruments for a wide range of applications. For example, the most revolutionary changes - dramatic increase in coherence and brightness - will be offered by the new 4th generation synchrotron sources (APS-U). And at Spallation Neutron Source, the proton power upgrade and the Second Target Station will provide unprecedentedly powerful neutron sources. In this session, we will highlight the new developments and capabilities of SAS instrumentation from both large facilities and home sources, including but not limited to hardware, software, and sample environments.

Afternoon Sessions

  • Chair(s): Daniel Olds, Alicia Manjon Sanz

    SIG Sponsor(s): Materials/Neutrons/Powder

    The rapid advancements in artificial intelligence (AI) and machine learning (ML) are revolutionizing various scientific domains, including materials science, chemistry, physics, biology, and others. These methods have found applicability in fields where the data generation rate has outpaced conventional analysis methods, often resulting in a big data bottleneck. This session aims to explore the diverse applications of AI and ML techniques as they are being utilized in crystallography including structure determination, materials characterization, experiment control, facility operation, and data analysis.

  • Chair(s): Kamran Ghiassi, Alexis Davidson

    SIG Sponsor(s): Small Molecule

    Co-Sponsor(s): Service, Canadian

    This session aims to highlight exciting structures in the realm of chemical crystallography. Examples of 'cool' structures would include small molecules of interest for their chemical or crystallographic properties, structure-property relationships, extended structures, supramolecular materials, and co-crystals. The session will bring the science enabled by chemical crystallographic analysis to the foreground. Speakers will be selected from contributed abstracts. Submissions from students are encouraged.

  • Chair(s): Tim Stachowski, Zhen Xu

    SIG Sponsor(s): General Interest

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

  • Chair(s): Johannes Blashke, Robert Boseman

    SIG Sponsor(s): Best Practices for Data Analysis and Archiving

    Co-Sponsor(s): Light Sources

    Recent advances in detector design and photon flux have resulted in an exponential increase in the data rates produced by Synchrotrons and XFELs. This enables the experimenter to explore more ambitious measurements such as, fragment screening, phase transitions and time-resolution. At the same time, new data analysis algorithms have become more demanding in terms of total computational work, I/O, networking, GPUs and accelerator hardware. This requires thoughtful investment in IT infrastructure to handle increased data processing and storage, combined with efficient data analysis. This session brings together an interdisciplinary group for a wide ranging discussion on these topics that are typically overlooked but can be key to experimental success. We will highlight several recent high-data rate use cases, encountered challenges, and potential new solutions.

  • Chair(s): Rama Sashank Madhurapantula, Joseph Orgel

    SIG Sponsor(s): Fiber

    This session explores the latest advancements in X-ray fiber diffraction methods and the insights gained into molecular structures using these developments. The session will host presentations from research performed in revolutionary technique development, biological, chemical and physical insights and how they correlate to material science, mathematical modeling and other interdisciplinary research areas. The talks will also showcase possible areas of collaboration of this rather niche research technique that is capable of delivering high acuity data into the aforementioned areas.

  • Chair(s): Jesse Hopkins, Tom Grant

    SIG Sponsor(s): Small Angle Scattering

    The structural characterization of biomolecules is essential for understanding their function and the impact of environmental factors on their behavior. Small angle scattering (SAS) is an indispensable tool in structural biology and provides unique insights into the conformational changes, dynamics, and interactions of biomolecules in their native solution state. Recent advances in light sources, experimental methods and computational algorithms have enabled exciting new discoveries using SAS. This session is devoted to discussing the latest advances in methods and applications of X-ray and neutron SAS to biomolecular dynamics. The primary aim is to bring together cutting-edge advances utilizing SAS on both soft matter and biological systems, including time-resolved studies, contrast matching, dynamic and flexible systems, hybrid modeling, novel experimental apparatus and methods, and new computational approaches. This session brings together experts and researchers who have been at the forefront of pioneering work in structural biology, shedding light on the dynamic aspects of biological macromolecules.

Thursday Sponsors