BPS2024 Full Program & Abstracts

315-Pos Board B81 COMPARATIVE ANALYSIS OF GERMLINE VERSUS MATURE VERSIONS OF THE BROADLY NEUTRALIZING HIV-1 ANTIBODY PGZL1. Yue Qiu , Kemin Tan, Ellis L. Reinherz, Mikyung Kim, Wonmuk Hwang 316-Pos Board B82 ASSESSING THE ROLE OF THE ALPHA-C-HELIX IN REGULATION OF PKR ACTIVATION THOUGH MD SIMULATIONS AND A NOVEL APPROACH TO ALLOSTERIC ANALYSIS (SQRL). Aaron G. Feinstein , James L. Cole, Eric R. May 317-Pos Board B83 PROBING ALLOSTERIC MECHANISMS OF THE HSP104 DISAGGREGASE USING MACHINE LEARNING TECHNIQUES. Tharushi Rajaguru , Sumedhi Jayasekara, Ashan Dayananda, George Stan 318-Pos Board B84 Travel Award Winner ATOMISTIC BASIS FOR THE DIFFERENTIAL LOAD RESPONSE BY THE ΓΔ AND THE CHIMERIC VΓΔ-CΑΒ T-CELL RECEPTORS. Sofiya B. Bettencourt , Robert J. Mallis, Matthew J. Lang, Ellis L. Reinherz, Wonmuk Hwang 319-Pos Board B85 DECIPHERING INTERFACE MECHANICS WITH PROTEIN DYNAMICS AND AI. Marcelo Cardoso dos Reis Melo , Rafael C. Bernardi 320-Pos Board B86 TOWARDS REVEALING FUNCTIONALLY RELEVANT CONFORMATIONAL DYNAMICS OF THE C-TERMINAL TAIL OF Β-ARRESTIN. Van Ngo, Jonathan A. Javitch, Lei Shi 321-Pos Board B87 IDENTIFICATION OF ALLOSTERIC HOTSPOTS AND CRYPTIC SITES TO MODULATE PROTEIN-PROTEIN INTERACTIONS (PPI): A MOLECULAR THERMODYNAMIC APPROACH. Ipsita Basu, Krishnendu Sinha, Sutanu Mukhopadhyay, Suman Chakrabarty 322-Pos Board B88 ENGINEERING GAIN‐OF‐FUNCTION MUTANTS OF A WW DOMAIN BY DYNAMICS AND STRUCTURAL ANALYSIS. I. Can (John) Kazan , Jin Lu, Mohammad Imtiazur Rahman, Nick Halloran, Andrey A. Bobkov, S. Banu Ozkan, Giovanna Ghirlanda 323-Pos Board B89 PROBING ALLOSTERIC COMMUNICATION IN THE CLPB AAA+ DISAGGRE GASE. Zhaocheng Zhang , Ashan Dayananda, Gilad Haran, George Stan 324-Pos Board B90 INVESTIGATING THE ALLOSTERIC ACTIVATION MECHANISM OF PROTEIN PHOSPHATASE 2A USING ENHANCED SAMPLING MOLECULAR DYNAM ICS SIMULATIONS. Michael S. O'Connor 325-Pos Board B91 PROBING IMPACT OF ALLOSTERIC (OR DISTAL) MUTATIONS ON PROTEIN FUNCTION THROUGH TIME-DEPENDENT LINEAR RESPONSE THEO RY. Paul Campitelli , Tushar Modi, S. Banu Ozkan 326-Pos Board B92 PATHOGENIC COPA MUTATIONS DECREASE BINDING OF DILYSINE MO TIFS THROUGH ALLOSTERIC EFFECTS. Anna Pavlova , Sasthi C. Mandal, Noa Simchoni, Christopher S. Law, Atanu Acharya, Anthony K. Shum, James C. Gumbart 327-Pos Board B93 PRODY'S LATEST ADVANCEMENTS: GAINING INSIGHTS INTO PROTEIN PROTEIN AND PROTEIN-WATER INTERACTIONS, AND THEIR ROLE IN PROTEIN DYNAMICS. Karolina Mikulska-Ruminska , Frane Doljanin, James M. Krieger, Xin Cao, Gary Wu, Anupam Banerjee, Carlos Simmer ling, Evangelos A. Coutsias, Ivet Bahar

328-Pos Board B94 ENHANCING PROTEIN DYNAMICS STUDIES WITH AN AUTOMATED FRET NETWORK DESIGN INFORMED BY DIRECT COUPLING ANALYSIS. Aish warya Krishnamohan , George L. Hamilton, F.X. Duffy, Faruck Morcos, Hugo Sanabria 329-Pos Board B95 STRUCTURAL BASIS FOR ALLOSTERIC REGULATION OF THE HUMAN CIS PRENYLTRANSFERASE COMPLEX. Moshe Giladi , Ekaterina Positselskaya, Lyr Aviram, Shiri Kredi, Pavla Vaňková, Petr Man, Yoni Haitin 330-Pos Board B96 LIGAND-MODULATED INTER-DOMAIN COMMUNICATION AND LONG RANGE ALLOSTERY IN FULL-LENGTH FXR. Saurov Hazarika 331-Pos Board B97 CONFORMATIONAL DYNAMICS OF MAMMALIAN CLOCK PROTEINS: ROLE OF FLEXIBILITY AND DISORDER IN TRANSCRIPTIONAL REGULA TION. Karthik Sudarsha, Ashutosh Srivastava 332-Pos Board B98 UNNATURAL AMINO ACIDS INSIDE CARRIER PROTEINS AS RAMAN PROBES OF SUBSTRATE SEQUESTRATION AND ASSOCIATED STRUCTUR AL CHANGES. Paola A. Delgado , Charles M. Ferguson, Kieran McDon nell, Louise Charkoudian, Casey H. Londergan 333-Pos Board B99 FRET NOT! MSMFRET REVEALS THE KINETIC CONFORMATIONAL HET EROGENEITY WITHIN SINGLE MOLECULE FRET DISTRIBUTIONS. Justin Miller , Upasana L. Mallimadugula, Maxwell I. Zimmerman, Andrea Soranno, Gregory Bowman Membrane Protein Dynamics I (Boards B100 - B127) 334-Pos Board B100 A NOVEL IN VIVO LUCIFERASE-BASED PLATFORM ENABLES CATALYTIC CHARACTERIZATION OF AN INTRAMEMBRANE RHOMBOID PROTEASE RHBDL4. Jasmine L. Jung 335-Pos Board B101 Travel Award Winner UNCOVERING THE STRUCTURAL MECHANISMS OF HOW CONSTITU TIVELY ACTIVATING MUTATIONS ALTER GPCR FUNCTION. Niloofar Gopal Pour , Shushu Wei, Sriram T. Krishnan, Arka Prabha Ray, Naveen Thakur, Matthew T. Eddy, Rajan Lamichhane 336-Pos Board B102 HIHIV-1 ENTRY STOICHIOMETRY DIFFERS ACROSS STRAINS, DISTRIBU TION OF SURFACE ENVELOPE (ENV) GLYCOPROTEIN TRIMER, AND INTER-PROTOMER COOPERATIVITY IN ENV TRIMER. Revansiddha H. Katte , Yang Han, Xinyu Hong, Maolin Lu 337-Pos Board B103 DYNAMICS AND FUNCTION OF THE VOLTAGE-GATED PROTON CHANNEL CYTOSOLIC DOMAINS. Shuo Han , Shuyi Wang, Sarah Applewhite, Grace Wang, Shizhen Wang 338-Pos Board B104 MODELING AAC1 NUCLEOTIDE SELECTIVITY USING MOLECULAR DY NAMICS SIMULATIONS. Jonathan H. Borowsky , Michael Grabe 339-Pos Board B105 BREAKING GROUND: A NEW MODEL FOR DUAL -PHASE INSULIN EXOCY TOSIS. Sikha Thoduvayil 340-Pos Board B106 MOLECULAR DYNAMICS STUDY ON THE PERMEATION DIRECTIONALITY OF WATER MOLECULES THROUGH AQP4. Naonobu Kuribayashi , Eiji Yamamoto, Yoshinori Hirano, Kenji Yasuoka

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