Agenda
8:00AM Check-In
8:55AM-9:00AM Introduction
9:00AM-10:40AM Talk session 1
Lauren Porter, NLM-NIH, Fold-switching proteins reveal AlphaFold’s limitations
Alexander MacKerell, UMB-SOP, Rapid estimation of small molecule dissociation pathways and rates, koff, using a combined physics/AI-based approach
Pratyush Tiwary, UMD, Will statistical mechanics theory and simulations stay relevant in the age of Generative AI?
10:40AM-10:55AM Coffee break
10:55AM-11:55AM Keynote talk
Yuan He, JHU, Deciphering the Molecular Blueprint of NHEJ-Mediated DNA Repair
11:55AM-12:35PM Lunch
12:35PM-2:15PM Talk session 2
Dan Shi, NCI Frederick, MicroED opened a new era in electron crystallography
Peter Beaucage, NCNR, The nSoft Autonomous Formulation Laboratory: AI and Neutron Scattering for Bioformulation Optimization
Greg Bowman, JHU, Uncovering regulation of the Chd1 remodeler that is integrated with nucleosome sliding
2:15PM-3:15PM Poster presentations
3:15PM-4:55PM Talk session 3
Christina Bergonzo, NIST, Using Molecular Dynamics to Advance Biotherapeutic Platform Development
Alexander Drohat, UMB SOM, Monitoring protein-mediated DNA conformational change using 19F NMR
Deepak Koirala, UMBC, RNA Structure-Based Mechanism of Enteroviral Genome Replication
4:55PM-5:00PM Concluding remarks
5:00PM-6:00PM Reception