BPS2024 Full Program & Abstracts

1101-Pos Board B54 MOLECULAR DYNAMICS SIMULATIONS OF FIREFLY LUCIFERASE AT EL EVATED TEMPERATURES. Piotr E. Marszalek , Dimitra Apostolidou, Vishal Lashkari, Harshi Jasti 1102-Pos Board B55 UNLOCKING P HLIP’S DYNAMIC TRANSFORMATIONS USING 2D IR SPEC TROSCOPY. Raiza Nara Antonelli Maia , Carlos R. Baiz 1103-Pos Board B56 RESOLVING CHAPERONE ACTION ON RIBOSOME-BOUND NASCENT CHAINS WITH SINGLE-MOLECULE SPECTROSCOPY. Nandakumar Ra jasekaran , Ting-Wei Liao, Taekjip Ha, Christian M. Kaiser 1104-Pos Board B57 XENO INTERACTIONS BETWEEN MHC-I PROTEINS AND MOLECULAR CHAPERONES ENABLE LIGAND EXCHANGE ON A BROAD REPERTOIRE OF HLA ALLOTYPES. Yi Sun , Georgia Papadaki, Christine Devlin, Julia Danon, Michael Young, Trenton Winters, George Burslem, Erik Procko, Nikolaos Board B58 THE EVOLVING BIOPHYSICS AND ANTIGENICITY OF THE SARS-COV-2 OMICRON SPIKE RECEPTOR BINDING DOMAIN. Jared Lindenberger , Chan Soo Park, Salam Sammour, Xiao Huang, Katarzyna Janowska, Priyamvada Acharya 1106-Pos Board B59 CHEMICAL INTERACTIONS DETERMINE CELLULAR STABILITY AND KINET ICS OF SMALL PROTEINS. Ume H. Tahir , Caitlin Davis 1107-Pos Board B60 HOW DO CHAPERONINS RECOGNIZE SUBSTRATE PROTEINS? Junlang Liu , Eugene Shakhnovich 1108-Pos Board B61 THE EFFECT OF DNAJB6 ON THE SOLUBILITY OF THE AMYLOIDOGENIC CORE OF TAU. Emil Axell 1109-Pos Board B62 TRACING THE CLOSE AND DISTANT EVOLUTIONARY RELATIONSHIPS OF PROTEIN REFOLDABILITY IN FIRMICUTES. Edgar Manriquez-Sandoval , Stephen D. Fried 1110-Pos Board B63 Travel Award Winner PROBING THE ROLE OF DNAKJ AND TRIGGER FACTOR IN FOLDING OF E.COLI PROTEOME. Divya Yadav 1111-Pos Board B64 INVESTIGATION OF THE STABILITY OF LYSOZYME IN THE PRESENCE OF IMMIDAZOLIUM IONIC LIQUIDS. Ramzy Malak, Madison F. Scott , CHUN WU, Timothy D. Vaden, Gregory A. Caputo 1112-Pos Board B65 EXPLORING MISFOLDED PROTEINS WITH CROSSLINKING MASS SPEC TROMETRY. Yingzi Xia Protein Dynamics and Allostery II (Boards B66 - B90) 1113-Pos Board B66 A STRUCTURAL MODEL OF TCR-PMHC CATCH BONDING. Casey O. Barkan 1114-Pos Board B67 EXPLORING ALLOSTERIC MECHANISMS IN CHOLESTEROL TRANSPORTA TION AND PIP2 SUBTYPE RECOGNITION BY STARD4. Hengyi Xie , Harel Weinstein , Harel Weinstein Sgourakis 1105-Pos

1115-Pos Board B68 EXPLORING THE PROTEIN DYNAMIC PROFILES OF THE TAUTOMERASE SUPERFAMILY UTILIZING MOLECULAR DYNAMICS SIMULATIONS. Chris topher B. Argueta 1116-Pos Board B69 USING GENERALIZED CORRELATED MOTION ANALYSIS TO UNDERSTAND HOW LIGANDS INFLUENCE COMMUNICATION PATHWAYS IN SER CA. Marcus T. Hock , Lane W. Votapka, Abigail E. Teitgen, Andrew Stokely, Rommie E. Amaro, J. Andrew McCammon, Andrew D. McCulloch 1117-Pos Board B70 METADYNAMICS SIMULATIONS TO OBSERVE THE ROLE OF C-TERMINAL DOMAINS IN MSM TOPOISOMERASE 1A GATE DYNAMICS. Doniven Hicks , Deepesh Sigdel, K. Maria Mills 1118-Pos Board B71 IN SILICO HUMAN CYTOPLASM MODELS REVEAL HIDDEN “DYNAMICS” AND INTERACTIONS OF ENZYMES. Premila P. Samuel , Taras V. Pogore lov, Martin Gruebele 1119-Pos Board B72 UNDERSTANDING FOXP TRANSCRIPTION FACTORS’ OLIGOMERIZATION MEDIATED BY INTERDOMAIN INTERACTIONS USING PIE-FLIM. Kath erina Hemmen, Anay Fernanda Lazaro Alfaro , Thomas-Otavio Peulen, Exequiel Medina, Katrin G. Heinze, Hugo Sanabria 1120-Pos Board B73 ENHANCING DEEP LEARNING MODEL DESIGN THROUGH PROTEIN DYNAMICS INFORMATION INTEGRATION. Jin Lu, I. Can (John) Kazan, Bethany K. Kartchner, Ngoc Huynh , Jeremy H. Mills, S. Banu Ozkan 1121-Pos Board B74 ROLE OF ELECTROSTATIC ENVIRONMENT IN MODULATING STRUCTURAL DYNAMICS AND LIGAND BINDING IN MICROBIAL CGDAPF. Sunita Muduli , Soumyajit Karmakar, Sabyashachi Mishra 1122-Pos Board B75 COMPUTATIONAL INVESTIGATIONS OF INTERDOMAIN ALLOSTERY IN FXR. Arumay Biswas , Tracy Yu, Denise Okafor 1123-Pos Board B76 TOWARD DEVELOPING A COVALENT INHIBITOR OF RAC1 P29S MU TANT. Aarion Romany 1124-Pos Board B77 ATOMIC-LEVEL SIMULATIONS OF SELF-ASSEMBLED ICOSAHEDRAL HIV-1 CAPSID VARIANTS. Lorenzo Foglia , Alvin Yu 1125-Pos Board B78 QUANTIFYING WATER RIGIDIZATION NEAR PROTEIN SURFACES. Kevin Lin , Jack Douglas, Esmael J. Haddadian 1126-Pos Board B79 STRUCTURAL EFFECTS OF R83 AND R152 METHYLATION ON DNA POLY MERASE BETA STUDIED USING THE MOLECULAR DYNAMICS SIMULA TION. Dirar M. Homouz , Haitham Idriss, Amit Srivastava 1127-Pos Board B80 SUBSTRATE SPECIFICITY OF SULT1A1 AND SULT1A3 ELUCIDATED BY CONFORMATIONAL DYNAMICS. Daniel Toth , Bálint Dudás, Erika Balog, Maria Miteva 1128-Pos Board B81 COMPUTATIONAL INVESTIGATIONS OF SARS-COV-2 PROOFREADING EXORIBONUCLEASE (EXON) SUGGEST STRATEGIES FOR ANTIVIRAL DESIGN. Eleonora Gianti

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