Sunday
2:00 pm - 9:00 pm
Arrival and Check-in
6:00 pm - 7:00 pm
Dinner
7:30 pm - 7:40 pm
Introductory Comments by GRC Staff / Welcome and Introduction from the Chairs
7:40 pm - 9:30 pm
Keynote Session: Dynamics Take the Stage from NMR Spectroscopy to Biological Function
Discussion Leader: Adriaan Bax (National Institutes of Health, United States)
7:40 pm - 7:50 pm
Introduction by Discussion Leader
7:50 pm - 8:30 pm
Hashim Al-Hashimi (Columbia University, United States)
"Determining Ensembles of Lowly Populated Short-lived RNA Conformational States using NMR and Computational Modeling"
8:30 pm - 8:40 pm
Discussion
8:40 pm - 9:20 pm
Dorothee Kern (Brandeis University/HHMI, United States)
"Evolution of Energy Landscapes and its Exploitation for Drug and Enzyme Design"
9:20 pm - 9:30 pm
Discussion
Monday
7:30 am - 8:30 am
Breakfast
9:00 am - 12:30 pm
Theory, Calculations, and Experiments
Discussion Leader: Angela Gronenborn (University of Pittsburgh, United States)
9:00 am - 9:10 am
Introduction by Discussion Leader
9:10 am - 9:50 am
Lucio Frydman (Weizmann Institute of Science, Israel)
"Polarization and Depolarization Processes to Enhance Sensitivity in Solution and Solid State NMR"
9:50 am - 10:00 am
Discussion
10:00 am - 10:20 am
Anthony Bishop (Texas A&M University, United States)
"Robust Automated Backbone Triple Resonance NMR Assignments of Proteins Using Bayesian-based Simulated Annealing"
10:20 am - 10:25 am
Discussion
10:25 am - 10:50 am
Coffee Break
10:50 am - 11:10 am
Jiaqi Zhu (Dartmouth College, United States)
"Comparing Covalent and Non-covalent Inhibition Mechanisms of Small Molecules Targeting the Disordered Transactivation Domain of the Androgen Receptor"
11:10 am - 11:15 am
Discussion
11:15 am - 11:35 am
Andrew Nieuwkoop (Rutgers University , United States)
"Cross Polarization as a Tool to Study Structure in Biological Systems"
11:35 am - 11:40 am
Discussion
11:40 am - 12:20 pm
Mei Hong (Massachusetts Institute of Technology, United States)
"19F Distance Solid-State NMR Methods for Biomolecular Structure Determination"
12:20 pm - 12:30 pm
Discussion
12:30 pm - 1:30 pm
Lunch
1:30 pm - 4:00 pm
Free Time
3:00 pm - 4:00 pm
The GRC Power Hour™
The GRC Power Hour™ is designed to address diversity and inclusion in the scientific workplace by providing a safe environment for informal and meaningful conversations amongst colleagues of all career stages. The program supports the professional growth of all members of our communities, including ethnicity, race and/or gender identity by providing an open forum for discussion and mentoring.
Organizer: Linda Nicholson (Cornell University, United States)
4:00 pm - 6:00 pm
Poster Session
6:00 pm - 7:00 pm
Dinner
7:30 pm - 9:30 pm
Structures and Dynamics of Nucleic Acids
Discussion Leader: Qi Zhang (University of North Carolina at Chapel Hill, United States)
7:30 pm - 7:40 pm
Introduction by Discussion Leader
7:40 pm - 8:15 pm
Sarah Keane (University of Michigan, United States)
"Structural basis for microRNA biogenesis"
8:15 pm - 8:25 pm
Discussion
8:25 pm - 8:40 pm
Catherine Eichhorn (University of Nebraska Lincoln, United States)
"Structural Heterogeneity in a Central Stem-Loop of the Transcriptional Regulator 7SK RNA"
8:40 pm - 8:45 pm
Discussion
8:45 pm - 9:20 pm
Yi Xue (Tsinghua University, China)
"Calculating Chemical Shifts of Nucleic Acids Using the Semi-Empirical Method"
9:20 pm - 9:30 pm
Discussion
Tuesday
7:30 am - 8:30 am
Breakfast
8:30 am - 9:00 am
Group Photo
9:00 am - 12:30 pm
Protein Dynamics in Solution and Solids
Discussion Leader: Patrick Loria (Yale University, United States)
9:00 am - 9:10 am
Introduction by Discussion Leader
9:10 am - 9:50 am
Mikael Akke (Lund University, Sweden)
"Ligand Binding Studied by NMR Relaxation Methods"
9:50 am - 10:00 am
Discussion
10:00 am - 10:20 am
Lalit Deshmukh (University of California, San Diego, United States)
"Bacterial Fatty Acid Biosynthesis Studied by Quantitative Chemical-Exchange NMR"
10:20 am - 10:25 am
Discussion
10:25 am - 10:50 am
Coffee Break
10:50 am - 11:10 am
Federica Maschietto (Yale University, United States)
"Decoding Allosteric Modulation: Unveiling the Impact of Temperature and Mutations on Imidazole-Glycerol Phosphate Synthase using Molecular Dynamics Simulations and NMR Spectroscopy"
11:10 am - 11:15 am
Discussion
11:15 am - 11:35 am
Jaekyun Jeon (Institute of Bioscience and Biotechnology Research, United States)
"Early Events in Amyloid-ß Self-Assembly Probed by Time-Resolved Solid-State NMR and Light Scattering"
11:35 am - 11:40 am
Discussion
11:40 am - 12:20 pm
Józef Lewandowski (University of Warwick, United Kingdom)
"Dynamics in Assemblies and Complexes in the Solid State"
12:20 pm - 12:30 pm
Discussion
12:30 pm - 1:30 pm
Lunch
1:30 pm - 4:00 pm
Free Time
4:00 pm - 6:00 pm
Poster Session
6:00 pm - 7:00 pm
Dinner
7:30 pm - 9:30 pm
MD Simulations Integrated with NMR Experiments
Discussion Leader: Francesca Massi (UMass Chan Medical School, United States)
7:30 pm - 7:40 pm
Introduction by Discussion Leader
7:40 pm - 8:15 pm
Paul Robustelli (Dartmouth College, United States)
"Conformational Ensembles and Molecular Recognition Mechanisms of Intrinsically Disordered Proteins"
8:15 pm - 8:25 pm
Discussion
8:25 pm - 8:40 pm
Hannah Wayment-Steele (Brandeis University, United States)
"Have Protein Language Models Learned Dynamics? Evaluating With a Large-Scale Benchmark of NMR Relaxation Data"
8:40 pm - 8:45 pm
Discussion
8:45 pm - 9:00 pm
Vincenzo Venditti (Vincenzo, United States)
"Seq2Ensemble: An Open-source Computational Pipeline for Generating Conformational Ensembles Consistent with RDC NMR Data"
9:00 pm - 9:05 pm
Discussion
9:05 pm - 9:20 pm
Taras Pogorelov (University of Illinois at Urbana-Champaign, United States)
"Comparative Coupled Dynamics of Sterols: Cholesterol and Ergosterol – It’s All (Mostly) in the Tail"
9:20 pm - 9:30 pm
Discussion
Wednesday
7:30 am - 8:30 am
Breakfast
9:00 am - 12:30 pm
IDPs and Non-Globular States
Discussion Leader: Paul Robustelli (Dartmouth College, United States)
9:00 am - 9:10 am
Introduction by Discussion Leader
9:10 am - 9:45 am
Jean Baum (Rutgers University, United States)
"Mechanistic Insights into Protein Aggregation"
9:45 am - 9:55 am
Discussion
9:55 am - 10:10 am
Nils-Alexander Lakomek (University of Dusseldorf, Germany)
"Structural Dynamics of Intrinsically Disordered Proteins at the Membrane Interface: Recent Insights into the Pre-fusion Conformation of SNARE Proteins by NMR Spectroscopy"
10:10 am - 10:15 am
Discussion
10:15 am - 10:40 am
Coffee Break
10:40 am - 11:15 am
Roberta Pierattelli (University of Florence, Italy)
"Merely Flexible Linkers?"
11:15 am - 11:25 am
Discussion
11:25 am - 11:40 am
Stase Bielskute (IRB Barcelona, Spain)
"Molecular Mechanism of the Selective Interaction Between a Drug-like Small Molecule and an Intrinsically Disordered Protein by Solution NMR"
11:40 am - 11:45 am
Discussion
11:45 am - 12:20 pm
Martin Blackledge (Institute of Structural Biology, CEA Grenoble, France)
"NMR Provides Unique Insight into the Functional Dynamics and Interactions of Intrinsically Disordered Proteins"
12:20 pm - 12:30 pm
Discussion
12:30 pm - 1:30 pm
Lunch
1:30 pm - 4:00 pm
Free Time
4:00 pm - 6:00 pm
Poster Session
6:00 pm - 7:00 pm
Dinner
7:30 pm - 9:30 pm
Data Acquisition and Interpretation
Discussion Leader: Haribabu Arthanari (Dana-Farber Cancer Institute / Harvard Medical School, United States)
7:30 pm - 7:40 pm
Introduction by Discussion Leader
7:40 pm - 8:15 pm
Rafael Bruschweiler (The Ohio State University, United States)
"Machine Learning and Other Computational Advances for the Prediction and Analysis of Complex NMR Data: from Metabolomics to Protein Dynamics"
8:15 pm - 8:25 pm
Discussion
8:25 pm - 8:40 pm
Yulia Pustovalova (UConn Health, United States)
"Sensitivity of Nonuniform Sampling Experiments"
8:40 pm - 8:45 pm
Discussion
8:45 pm - 9:20 pm
Vladislav Orekhov (University of Gothenburg, Sweden)
"NMR Signal Processing with Artificial Neural Networks"
9:20 pm - 9:30 pm
Discussion
Thursday
7:30 am - 8:30 am
Breakfast
8:30 am - 9:00 am
Business Meeting
Nominations for the Next Vice Chair(s); Complete the GRC Evaluation Forms; Discuss Future Dates and Venue; Election of the Next Vice Chair(s)
9:00 am - 12:30 pm
Approaches for Large Systems in Solution and Solid States
Discussion Leader: Chad Rienstra (University of Wisconsin-Madison, United States)
9:00 am - 9:10 am
Introduction by Discussion Leader
9:10 am - 9:45 am
Tatyana Polenova (University of Delaware, United States)
"Integrative Structural Biology of Protein Assemblies"
9:45 am - 9:55 am
Discussion
9:55 am - 10:10 am
George Lisi (Brown University, United States)
"Molecular Motions of Mesophilic and Thermophilic CRISPR-Cas9 Tune Specificity and High-temperature Function"
10:10 am - 10:15 am
Discussion
10:15 am - 10:40 am
Coffee Break
10:40 am - 11:15 am
Dominique Frueh (Johns Hopkins University School of Medicine, United States)
"Structural Dynamics as Protein Nervous Systems: Why and how to do NMR Studies of a 52 kDa Peptide Synthetase"
11:15 am - 11:25 am
Discussion
11:25 am - 11:40 am
Shreya Ghosh (National Institutes of Health, United States)
"Quantitative NMR Analysis of the Mechanism and Kinetics of Chaperone Hsp104 Action on Amyloid-ß42 Aggregation and Fibril Formation"
11:40 am - 11:45 am
Discussion
11:45 am - 12:20 pm
Rina Rosenzweig (Weizmann Institute of Science, Israel)
"When Chaperones Go Rogue - Uncovering the Mechanism by which Mutations in JDP Chaperones Lead to Disease"
12:20 pm - 12:30 pm
Discussion
12:30 pm - 1:30 pm
Lunch
1:30 pm - 4:00 pm
Free Time
4:00 pm - 6:00 pm
Poster Session
6:00 pm - 7:00 pm
Dinner
7:30 pm - 9:30 pm
New Experimental and Theoretical Approaches
Discussion Leader: Ilya Kuprov (University of Southampton, United Kingdom)
7:30 pm - 7:40 pm
Introduction by Discussion Leader
7:40 pm - 8:15 pm
Matthias Ernst (ETH Zürich, Switzerland)
"Pulse-sequence Optimization Based on Effective Hamiltonians"
8:15 pm - 8:25 pm
Discussion
8:25 pm - 8:40 pm
Iva Sucec (Massachusetts Institute of Technology, United States)
"Water and Lipid-Edited Solid-State NMR Spectroscopy for Rapid Structure Determination of Helical Bundle Membrane Proteins"
8:40 pm - 8:45 pm
Discussion
8:45 pm - 9:20 pm
David Case (Rutgers University, United States)
"Connecting Chemical Shifts to Macromolecular Structures"
9:20 pm - 9:30 pm
Discussion
Friday
7:30 am - 8:30 am
Breakfast
9:00 am
Departure
