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 Site Staff / Welcome from the GRC Chair
7:40 pm - 9:30 pm
Biomolecular Processes
Discussion Leader: R. Graham Cooks (Purdue University, USA)
7:40 pm - 7:50 pm
Opening Remarks
7:50 pm - 8:00 pm
Introduction by Discussion Leader
8:00 pm - 8:55 pm
Joachim Frank (Columbia University, USA)
"Capturing the Free Energy Landscape by Cryo-EM: The Elucidation of Activation and Gating of RyR"
8:55 pm - 9:15 pm
Discussion
9:15 pm - 9:30 pm
General Discussion
Monday
7:30 am - 8:30 am
Breakfast
9:00 am - 12:30 pm
Advances in Crystallography and Cryo-EM
Discussion Leader: Dhileep Krishnamurthy (Zhejiang NHU Company Ltd., China)
9:00 am - 9:10 am
Introduction by Discussion Leader
9:10 am - 9:45 am
Angela Gronenborn (University of Pittsburgh, USA)
"Synergy Between NMR, Cryo-EM and Large-Scale MD Simulations: Structure and Dynamics of the HIV Capsid and Its Cellular Interactors"
9:45 am - 9:55 am
Discussion
9:55 am - 10:30 am
Phoebe Stewart (Case Western Reserve University, USA)
"Frontiers of CryoEM in Imaging of Viruses, Nanoparticles and Macromolecules"
10:30 am - 10:40 am
Discussion
10:40 am - 11:05 am
Coffee Break
11:05 am - 11:40 am
Makoto Fujita (University of Tokyo, Japan)
"Crystalline Sponge Method for Natural Product Studies"
11:40 am - 11:50 am
Discussion
11:50 am - 12:05 pm
Francisco Javier Acosta-Reyes (Columbia University, USA)
"Structure of 70s Ribosome Deficient of S2 Ribosomal Protein by CryoEM and Its Role on Translation of Leaderless Transcripts"
12:05 pm - 12:10 pm
Discussion
12:10 pm - 12:30 pm
General 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
Computational Chemistry in Structural Elucidation
Discussion Leader: Edward Sherer (Merck & Co. Inc., USA)
7:30 pm - 7:35 pm
Introduction by Discussion Leader
7:35 pm - 8:05 pm
Nina Gonnella (Boehringer Ingelheim, USA)
"Development of Two Powerful NMR Chemical Shift Prediction Procedures for Molecular Structure, Elucidation Using B3LYP/cc-pVDZ and Probability Theory"
8:05 pm - 8:10 pm
Discussion
8:10 pm - 8:40 pm
Rainer Wilcken (Novartis Institutes for Biomedical Research, Switzerland)
"The ReSCoSS Workflow: From Solution Conformers to Property Prediction"
8:40 pm - 8:45 pm
Discussion
8:45 pm - 9:10 pm
Gaetano Montelione (Rutgers, the State University of New Jersey, USA)
"Hybrid Methods for Protein Structure Determination Combining Computational Modeling with Evolutionary Co-Variance, NMR and SAXS Data"
9:10 pm - 9:15 pm
Discussion
9:15 pm - 9:25 pm
Gaurav Chopra (Purdue University, USA)
"Machine Learning Based Integration of Proteome-Scale Interaction Modeling and Phenotypic Experiments to Design Small Molecules Drugs"
9:25 pm - 9:30 pm
Discussion
Tuesday
7:30 am - 8:30 am
Breakfast
9:00 am - 12:30 pm
Protein Structure
Discussion Leader: Gaetano Montelione (Rutgers, the State University of New Jersey, USA)
9:00 am - 9:10 am
Introduction by Discussion Leader
9:10 am - 9:45 am
Hao Wu (Harvard Medical School / Boston Children's Hospital, USA)
"Making the Pore for Inflammasome Signaling"
9:45 am - 9:55 am
Discussion
9:55 am - 10:30 am
Christian Schoneich (University of Kansas, USA)
"Chemical Degradation of Protein Therapeutics: Characterization of Novel Products Relevant for Stability and Immunogenicity"
10:30 am - 10:40 am
Discussion
10:40 am - 11:05 am
Coffee Break
11:05 am - 11:40 am
Jingke Weng (Whitehead Institute for Biomedical Research, Massachusetts Institute of Technology, USA)
"Structural Basis for Divergent Evolution of Plant Specialized Metabolic Enzymes"
11:40 am - 11:50 am
Discussion
11:50 am - 12:05 pm
John Horton (University of Texas MD Anderson Cancer Center, USA)
"Effects of Inhibition of the Catalytic Domain of Histone Lysine Demethylase KDM5"
12:05 pm - 12:10 pm
Discussion
12:10 pm - 12:25 pm
Wenjun Zheng (University at Buffalo, SUNY, USA)
"Investigating the Structural Dynamics of the PIEZO1 Channel Activation and Inactivation by Coarse-Grained Modeling Based on Cryo-EM Maps"
12:25 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
Separation Sciences
Discussion Leader: Mohammad Alsayah (Genentech, USA)
7:30 pm - 7:35 pm
Introduction by Discussion Leader
7:35 pm - 8:05 pm
Susan Olesik (Ohio State University, USA)
"Efficient Separations of Large Biological Compounds"
8:05 pm - 8:10 pm
Discussion
8:10 pm - 8:35 pm
Nelu Grinberg (Exemplify BioPharma, USA)
"Vibrational Circular Dichroism Spectroscopy for the Determination of Supramolecular Interactions in Enantiomeric Separations"
8:35 pm - 8:40 pm
Discussion
8:40 pm - 9:10 pm
Daniel Armstrong (University of Texas at Arlington, USA)
"Separations at Sensor Time Scales"
9:10 pm - 9:15 pm
Discussion
9:15 pm - 9:25 pm
Abraham Badu-Tawiah (The Ohio State University, USA)
"Protein Biomarker Detection Using Portable Mass Spectrometers: Toward On-Demand Malaria Diagnosis"
9:25 pm - 9:30 pm
Discussion
Wednesday
7:30 am - 8:30 am
Breakfast
9:00 am - 12:30 pm
Mass Spectrometry in Biological/Biomarker Characterization
Discussion Leader: Abraham Badu-Tawiah (The Ohio State University, USA)
9:00 am - 9:10 am
Introduction by Discussion Leader
9:10 am - 9:45 am
David Russell (Texas A&M University, USA)
"Native-ESI Ion Mobility-Mass Spectrometry: Enabling Technologies for Mapping Protein Conformationomes"
9:45 am - 9:55 am
Discussion
9:55 am - 10:20 am
Group Photo / Coffee Break
10:20 am - 10:55 am
Yu Xia (Tsinghua University, China)
"Harnessing Radical Chemistry for the Analysis of Bio-Isomers via Mass Spectrometry"
10:55 am - 11:05 am
Discussion
11:05 am - 11:40 am
Lingjun Li (University of Wisconsin-Madison, USA)
"Mass Spectrometry-Based Omics Strategies for Cerebrospinal Fluid Biomarker Discovery and Validation in Alzheimer's Disease"
11:40 am - 11:50 am
Discussion
11:50 am - 12:05 pm
Xin Yan (Stanford University, USA)
"Aging Metabolomics Using Dual Imaging Methodologies: Desorption Electrospray Ionization Mass Spectrometry Imaging and Fluorescence Imaging"
12:05 pm - 12:10 pm
Discussion
12:10 pm - 12:30 pm
General Discussion
12:30 pm - 1:30 pm
Lunch
1:30 pm - 4:00 pm
Free Time
4:00 pm - 5:30 pm
Poster Session
5:30 pm - 7:30 pm
Advancing Pharmaceutical Discovery/Development Through Molecular Structural Elucidation
Discussion Leader: Gaurav Chopra (Purdue University, USA)
5:30 pm - 5:35 pm
Introduction by Discussion Leader
5:35 pm - 6:05 pm
Karin Briner (Novartis, USA)
"Creating New Medicines: Chemistry at the Interface with Multiple Disciplines"
6:05 pm - 6:10 pm
Discussion
6:10 pm - 6:40 pm
David Stirling (Genentech, USA)
"Analytical Technologies to Expand the Drugable Space and Deliver New Therapeutic Modalities"
6:40 pm - 6:45 pm
Discussion
6:45 pm - 7:10 pm
Peter Wuelfing (Merck, USA)
"Enabling Development of Novel Therapeutics Through Innovative Molecular Characterization: Examples of Success and Open Challenges from an Industrial Perspective"
7:10 pm - 7:15 pm
Discussion
7:15 pm - 7:25 pm
Yongchao Su (Merck Research Laboratories, USA)
"Advancing Solid-State NMR Spectroscopy in Pharmaceutical Sciences"
7:25 pm - 7:30 pm
Discussion
8:00 pm - 9:00 pm
Dinner
Thursday
7:30 am - 8:30 am
Breakfast
8:30 am - 9:00 am
Business Meeting
Nominations for the Next Vice Chair; Fill in Conference Evaluation Forms; Discuss Future Site and Scheduling Preferences; Election of the Next Vice Chair
9:00 am - 12:30 pm
NMR in Advancing Drug Development
Discussion Leader: Yongchao Su (Merck Research Laboratories, USA)
9:00 am - 9:10 am
Introduction by Discussion Leader
9:10 am - 9:45 am
Ann McDermott (Columbia University, USA)
"Protein Structures in Cell Signaling: Solid State NMR Studies of Ion Channels and Functional Amyloids"
9:45 am - 9:55 am
Discussion
9:55 am - 10:30 am
Gary Martin (Merck Research Laboratories, USA)
"NMR Solutions for Previously Unsolvable Structural Problems"
10:30 am - 10:40 am
Discussion
10:40 am - 11:05 am
Coffee Break
11:05 am - 11:40 am
Kirk Gustafson (National Cancer Institute, NIH, USA)
"NMR Characterization of Complex Natural Products: Opportunities and Challenges in Structure Elucidation"
11:40 am - 11:50 am
Discussion
11:50 am - 12:05 pm
Lalit Deshmukh (University of California, San Diego, USA)
"Targeting the Transient Dark State of HIV-1 Nucleocapsid with Small Drug-Like Molecules"
12:05 pm - 12:10 pm
Discussion
12:10 pm - 12:30 pm
General 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
Molecular Spectroscopic Imaging
Discussion Leader: Matthew Lamm (Merck & Co., Inc., USA)
7:30 pm - 7:40 pm
Introduction by Discussion Leader
7:40 pm - 8:10 pm
Laurence Nafie (Syracuse University, USA)
"Applications of Vibrational Optical Activity in the Pharmaceutical Industry Through Stereochemical Specification"
8:10 pm - 8:15 pm
Discussion
8:15 pm - 8:45 pm
Garth Simpson (Purdue University, USA)
"Connecting Molecular Structure to Macroscopic Observables in Nonlinear Optical Imaging"
8:45 pm - 8:50 pm
Discussion
8:50 pm - 9:20 pm
Ji-Xin Cheng (Boston University, USA)
"Seeing the Unseen in Living Systems Through Molecular Fingerprints"
9:20 pm - 9:30 pm
Discussion
Friday
7:30 am - 8:30 am
Breakfast
9:00 am
Departure