BPS2025 Full Program

2562-Pos Board B26 PPM1D PHOSPHATASE: CRYSTAL STRUCTURE, MECHANISTIC STUDIES, AND STRUCTURE-BASED VIRTUAL SCREENING. Jay P. Kumar , Dalibor Kosek, Stewart Durell, Nadya I. Tarasova, Lisa Jenkins, Subrata Debnath, Nathan Coussens, Matthew Hall, Daniel Appella, Fred Dyda, Sharlyn Mazur, Ettore Appella 2563-Pos Board B27 SEC18 SIDE-LOADING IS ESSENTIAL FOR UNIVERSAL SNARE RECYCLING ACROSS CELLULAR CONTEXTS. Yousuf A. Khan , K. Ian White, Richard Pfuetzner, Bharti Singal, Luis R. Esquivies, Garvey Mckenzie, Fang Liu, Katherine DeLong, Ucheor B. Choi, Elizabeth Montabana, Teresa Mclaughlin, William Wickner, Axel T. Brunger 2564-Pos Board B28 REVERSIBLE OLIGOMERIZATION MEDIATED BY SMALL RNA BINDING IN A BACTERIAL ANTI-PHAGE SYSTEM. Kate Radford , Anton Kuzmenko, Anastasiya Oguienko, Tsui-Fen Chou, Alexei Aravin 2565-Pos Board B29 MOLECULAR MECHANISM OF CASPASE-9 CARD OLIGOMERIZATION US ING CRYO-EM AND NMR SPECTROSCOPY. SWASTI RAWAL , Stefan Bohn, Dagmar Kolb, Tea Pavkov-Keller, Ambroise Desfosses, Tobias Madl, T. Reid Alderson 2566-Pos Board B30 A CRYPTIC POCKET IN EBOLA VP35 PROTEIN EXHIBITS CONSERVED DYNAMICS AND FUNCTION IN CELL-LIKE CONDITIONS. Prajna Mishra , Gregory R. Bowman 2567-Pos Board B31 IMPROVED MODELING OF WATER MOLECULES IN MULTICONFORMER X-RAY MODELING. Stephanie Wankowicz 2568-Pos Board B32 STRUCTURE-GUIDED ENGINEERING OF THERMODYNAMICALLY EN HANCED CAS9 FOR EFFICIENT GENE SUPPRESSION. Hyeyeon Jeon, Eun Sung Kang, Dongsun Shin, Do Hyun Bae , Yong Ho Kim 2569-Pos Board B33 Travel Award Winner EPHA2 SIGNALING REGULATION BY AN EXTRACELLULAR FIBRONECTIN DOMAIN HINGE. Paul Toth , Soyeon Kim, Steffen Lindert, Bing-Cheng Wang, Benjamin P. Brown, Xiaojun Shi Protein Structure, Prediction, and Design II (Boards B34 - B48) 2570-Pos Board B34 COMPUTATIONAL DESIGN OF NAV1.8 SODIUM CHANNEL INHIBITORS AS NOVEL NON-ADDICTIVE TREATMENTS FOR PAIN MANAGEMENT. Kush Narang , Diego Lopez Mateos, Adam Murray, Vladimir Yarov-Yarovoy 2571-Pos Board B35 DE NOVO DESIGN OF PROTEIN ANTAGONISTS OF BACTERIAL PATHOGEN TYPE III SECRETION SYSTEM NEEDLE ASSEMBLY. Ruoqing Jia , Andrew McShan 2572-Pos Board B36 Travel Award Winner DE-NOVO DESIGNED MINI-PROTEIN BINDERS AGAINST NUCLEOCAPSID PROTEIN OF SARS-COV2. Zeenat Khaker Wala , Ashwani Kumar, Biplab Ghosh, Ravindra D. Makde 2573-Pos Board B37 IGDESIGN: LEVERAGING DEEP LEARNING AND MD SIMULATIONS FOR ENHANCED ANTIBODY BINDER DESIGN. Hyun Park

2574-Pos Board B38 A NOVEL COMPUTATIONAL PIPELINE TO IDENTIFYING NOVEL BIND ING EPITOPES TO BET PROTEINS. Arup Mondal, Bhumika Singh, Roland Felkner, Anna De Falco, GVT Swapna, Gaetano T. Montelione, Monica J. Roth, Alberto Perez 2575-Pos Board B39 ALPHAFOLD AND MOLECULAR DYNAMICS SIMULATIONS AS PREDIC TORS OF T CELL RECEPTOR EFFICACY. Steven P. Wolf, Lauren Wu, Shireen Shams Ardekani, Hans Schreiber, Stephen C. Meredith, Esmael J. Haddadian 2576-Pos Board B40 DIGITAL DEVELOPMENT OF PEPTIDES AGAINST BAX-INDUCED APOP TOSIS. Ioana-Mariuca Ilie , Tom Vlaar, Lars van der Heide, Bernadette Mayer 2577-Pos Board B41 GENERATING DECOY INTERACTIONS FOR EXPLAINABLE DEEP-LEARNING ANTIBODY-ANTIGEN SCORING AND PREDICTION. Maxwell He , Kenny Wong, Ishaan Subramanian, Xing Lu, Srirupa Chakraborty 2578-Pos Board B42 DESIGNING A UNIVERSAL FAB-BINDING MEDITOPE TO USE ANTIBODY FABS AS STRUCTURAL CHAPERONES. Carla Cabal Fernandez , Massimil iano Bonomi, Chiara Rapisarda 2579-Pos Board B43 HAS ALPHAFOLD LEARNED PHYSICS? Siyuan Du , Ningyi Lyu, Jianpeng Ma, Dan Herschlag 2580-Pos Board B44 NOVEL TRANSMEMBRANE TRANSPORTERS DERIVED FROM LATENT GENERATIVE LANDSCAPES. Fariha Hossain, Fernando Montalvillo, Hedieh Torabifard, Gabriele Meloni, Faruck Morcos 2581-Pos Board B45 HIGH PRECISION DESIGN OF DE NOVO BIOENERGETIC PROTEINS. J. L. Ross Anderson , Ethan Bungay, Cam Mellor, Holly Ford, Ben Hardy, Cath erine Back, Alexia Taylor, Paul Curnow 2582-Pos Board B46 SEQUENCE-BASED PREDICTION OF PROTEIN DYNAMIC CONTACT MAPS THROUGH FINE-TUNED STRUCTURE PREDICTION MODELS. Diego E. Kleiman , Diwakar Shukla 2583-Pos Board B47 COMPUTATIONAL MODEL FOR PREDICTING CA 2+ BINDING AFFINITY OF CALCIUM-BINDING PROTEIN MUTANTS: FREE ENERGY CALCULATION, COEVOLUTION MODELING AND MACHINE LEARNING. Pooja . , Pradipta Bandyopadhyay 2584-Pos Board B48 MAPPING THE TOPOGRAPHY OF FUNCTIONAL PATHWAYS IN BIOMO LECULAR SYSTEMS. Federica Maschietto , Lucas Lee, Victor S. Batista Protein Dynamics and Allostery III (Boards B49 - B64) 2585-Pos Board B49 A HELICAL FULCRUM IN EIF2B COORDINATES ALLOSTERIC REGULATION OF STRESS SIGNALING. Rosalie Lawrence , Sophie Shoemaker, Aniliese Deal, Lan Wang, Susan Marqusee, Peter Walter 2586-Pos Board B50 DYNAMICS OF EXTREMOPHILE PROTEINS. Stephen P. Cramer

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