BPS2024 Full Program & Abstracts

743-Pos Board B509 HIGH-CONFIDENCE 3D TEMPLATE MATCHING FOR CRYO-ELECTRON TOMOGRAPHY. Sergio Cruz-Leon , Tomáš Majtner, Patrick Hoffmann, Jan P. Kreysing, Maarten W. Tuijtel, Stefan L. Schaefer, Katharina Geißler, Martin Beck, Beata Turoňová, Gerhard Hummer 744-Pos Board B510 ADVANCES IN 4D-STEM PHASE-CONTRAST IMAGING OF FROZEN HYDRATED BIOLOGICAL SPECIMENS. Yue Yu , Michael Colletta, Katherine Spoth, David Muller, Lena Kourkoutis Diffraction and Scattering Techniques (Boards B511 - B515) 745-Pos Board B511 SMALL-ANGLE X-RAY MICRODIFFRACTION FROM FIXED HUMAN BRAIN TISSUE EXHIBITS POWER-LAW BEHAVIOR THAT PROVIDES INSIGHTS INTO THE STRUCTURAL ORGANIZATION OF NEUROPATHOLOGICAL LE SIONS. Prakash Nepal , Abdullah A. Bashit, Lee Makowski 746-Pos Board B512 X-RAY DAMAGE ASSESSMENT OF SEC-SAXS EXPERIMENTS AT THE LIFE SCIENCES X-RAY BEAMLINE (LIX) AT NSLSII. James Byrnes , Chevon Jor dan, Shirish N. Chodankar, Lin Yang 747-Pos Board B513 EXPLORING MOLECULE-MEMBRANE DYNAMICS IN LIVING BACERIA WITH SECOND HARMONIC SCATTERING. Marea J. Blake , Tessa Calhoun 748-Pos Board B514 LABEL-FREE ASSESSMENT OF CELLULAR HEALTH STATES USING QUAN TUM LIGHT HOMODYNE MEASUREMENT. Daniel Yan , Nicolas Mauran yapin, Marino L. Alva, Warwick Bowen, Yun Chen 749-Pos Board B515 THE CELLULAR UPTAKE OF THALLIUM-201 (201TL) DELIVERED BY PRUS SIAN BLUE NANOPARTICLES IS MAPPED AT THE SUBCELLULAR LEVEL IN LUNG CANCER CELLS. Katarzyna Wulfmeier, Juan Pellico, Pedro Machado , Alejandra Carbajal, Saskia Bakker, Philip Blower, Vincenzo Abbate, Samantha Terry Molecular Dynamics I (Boards B516 - B550) 750-Pos Board B516 Travel Award Winner MOLECULAR DYNAMICS AND COARSE-GRAINED DYNAMICS STUDIES OF WILD TYPE AND MUTANTS TO UNDERSTAND CONFORMATIONAL CHANGES IN HUMAN TRANSGLUTAMINASE 2. Srimari Srikanth, Dharineesh K. Sridhar, Karthikeya Doppalapudi, Taner Z. Sen, Venkatasu bramanian Ulaganathan, Ragothaman M. Yennamalli 751-Pos Board B517 FROM EVOLUTION TO DYNAMICS: UNDERSTANDING TETRODOTOXIN RESISTANCE IN GARTER SNAKES AT THE MOLECULAR LEVEL. Kait Male wicz , Julia M. Montgomery, Joel W. McGlothlin, Justin A. Lemkul 752-Pos Board B518 INVESTIGATION OF HDAC7-MEF2A INTERACTIONS USING MOLECU LAR SIMULATIONS. Narayan Gautam , Prem P. Chapagain, Narayan P. Adhikari, Purushottam B. Tiwari 753-Pos Board B519 Travel Award Winner INVESTIGATING THE ELECTROSTATIC FORCES INFLUENCING THE STRUC TURE AND DYNAMICS OF THE BETA-2 ADRENERGIC RECEPTOR AND WALP PEPTIDE. Julia M. Montgomery , Justin A. Lemkul 754-Pos Board B520 SEQUENCE DEPENDENCE IN NUCLEOSOME DYNAMICS. Prabir Khatua, Phu Tang, Abhik G. Moulick, Rutika Patel, Anjela Manandhar, Sharon M. Loverde

755-Pos Board B521 ESTIMATION OF FREE ENERGIES OF FKBP-12-LIGAND SYSTEMS USING ENHANCED SAMPLING METHODS. Praveen Ranganath Prabhakar , Amal Vijay, Arnab Mukherjee, Ioan Andricioaei 756-Pos Board B522 OPTIMIZING PET BIORECYCLING SOLUTIONS THROUGH ELECTRONI CALLY POLARIZABLE SIMULATIONS. Marcelo D. Polêto , Justin A. Lemkul 757-Pos Board B523 COMPUTATIONAL INVESTIGATION OF CANCER ASSOCIATED MUTATIONS ON THE STRUCTURAL AND DYNAMICAL BEHAVIOR OF DNA GLYCO SYLASE ENZYME (MUTY). Upeksha C. Dissanayake , Carlos H. Trasviña Arenas, Sheila S. David, Gerardo A. Cisneros 758-Pos Board B524 INVESTIGATING COOPERATIVITY IN THE LC8 PROTEIN HUB VIA MOLECU LAR DYNAMICS SIMULATIONS. Shelby D. Santos , Elisar J. Barbar, Daniel M. Zuckerman 759-Pos Board B525 EXPLORING TEMPERATURE DEPENDENT CONFORMATIONAL CHANGES IN P38 MAP KINASES INVOLVED IN INFLAMMATION AND ACUTE LUNG INJURY. Prabin Baral , Daniel J. Deredge, Paul Shapiro, Jeffrey Hasday, Alexander D. MacKerell 760-Pos Board B526 CHARACTERIZING THE MOLECULAR BASIS OF FRIEDREICH'S ATAXIA US ING MOLECULAR DYNAMICS. David J. Fox , David R. Koes 761-Pos Board B527 MODELLING A SUGAR ENZYME THROUGH MOLECULAR DOCKING, MO LECULAR DYNAMICS SIMULATIONS, AND MACHINE LEARNING. Kinjal Mondal , Jeffery B. Klauda 762-Pos Board B528 DECIPHERING PD-L1:AFFIBODY COMPLEX: A COMPUTATIONAL ENDEAV OUR TO UNDERSTANDING PROTEIN-PROTEIN INTERACTIONS IN CANCER THERAPY. Diego E. Barreto Gomes, Byeongseon Yang, Michael A. Nash, Rafael C. Bernardi 763-Pos Board B529 AN IMPLICIT DYE SAMPLING TECHNIQUE FOR THE STUDY OF CONFOR MATIONAL DYNAMICS OF SARS-COV-2 SPIKE PROTEIN VARIANTS. Jo seph Williamson , Maolin Lu, Mahmoud Moradi 764-Pos Board B530 REDEFINING HP1'S ROLE IN CHROMATIN COMPACTION USING MODERN SIMULATION PROTOCOLS. Jacob Miratsky , Vladyslava Sokolova, Tyler Lewis, Kelly A. Dryden, Shayan Sarkar, John Haley, Dongyan Tan, Ab hishek Singharoy 765-Pos Board B531 PHYSICAL MODEL OF A MATURE DENGUE VIRION. Parth Chaturvedi , Kush Coshic, Christopher M. Maffeo, Aleksei Aksimentiev 766-Pos Board B532 MOLECULAR MECHANISM OF RAD26-ASSISTED RESCUE OF STALLED RNA POLYMERASE II IN TRANSCRIPTION-COUPLED REPAIR. Ivaylo Iva nov , Chunli Yan, Jina Yu, Dong Wang, Juntaek Oh, Jun Xu 767-Pos Board B533 A RATE LIMITING EVENT IN TDP-43 AGGREGATION ELUCIDATED BY DAMFRET AND MOLECULAR DYNAMICS SIMULATIONS. Jeevapani J. Hettige , Jianzheng Wu, Alex Von Schulze, Randal Halfmann 768-Pos Board B534 EXPLORING PROTEIN CONFORMATIONAL PATHS USING MACHINE LEARNING-GENERATED STRUCTURES COUPLED TO A MULTISCALE SIMU LATION FRAMEWORK; SHOWCASED FOR RAS-RAF ACTIVATION. Helgi I. Ingólfsson

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