BPS2025 Full Program

2275-Pos Board B469 THE QUANTIZED THERMODYNAMICS OF MUSCLE: NESTED RESONANT STRUCTURES AND THE ENTROPIC STABILITY OF LIFE. Josh E. Baker 2276-Pos Board B470 STRAIN FIELDS AND SOLITARY STRAIN WAVES AS DETERMINING FAC TORS FOR THE CROSS-SECTIONAL GEOMETRY OF MOUSE INCISOR ENAMEL. Brian N. Cox , Prashant K. Purohit, Shane N. White 2277-Pos Board B471 STEPPINGSTONE STATES FOR THERMODYNAMIC RELAXATION. Peter Salamon , Bjarne Andresen, Karl Heinz Hoffmann, Ty Roach, Forest L. Rohwer 2278-Pos Board B472 CELL-DRIVEN FLUID DYNAMICS: A MODEL OF ACTIVE SYSTEMIC CIRCU LATION. Yufei Wu , Morgan Benson, Sean Sun 2279-Pos Board B473 SPONTANEOUS CONICAL STRUCTURESAND STRESS LOCALIZATION IN SURGICALLY MOTIVATED COMPUTATIONAL MODELS. Anna D. Gaffney , Dongxu Liu, Vijnna Appasani, Anna Movsheva, Thomas Witten, Efi Efrati, Ka Yee C. Lee, Luka Pocivavsek, Nhung Nguyen 2280-Pos Board B474 GENERATION OF AN ENGINEERED HEART TISSUE MODEL FOR HY PERTROPHIC CARDIOMYOPATHY, CAUSED BY MYBPC3 R820W MUTA TION. Mary G. Ball 2281-Pos Board B475 Travel Award Winner CAPTURING QUANTITATIVE BACTERIAL POPULATION KINETICS WITHIN INDIVIDUAL C. ELEGANS. Carol Lu , Stanimir Tashev, Pedro Pessoa, Rory Kruithoff, Douglas P. Shepherd, Steve Pressé 2282-Pos Board B476 POPULATION EVOLUTION WITH TRANSITIONS IN A LOOPED CHAIN GEN ERATES DAMPED OSCILLATION. Nicholas C. Keen , Megan Sweet, Daniela Cimini, Jing Chen 2283-Pos Board B477 WHY LEUKOCYTES ROLL FASTER ON SOFTER SUBSTRATES. Isabella Phil lips , Zachary Carman, Arsha Moorthy, Madeline Smith, Chamaree de Silva, Alireza Sarvestani 2284-Pos Board B478 ELECTROMAGNETIC DYNAMICS AND CHARACTERIZATION OF CANCER CELL-MAGNETIC BEAD INTERACTIONS. Rashad C. Hall 2285-Pos Board B479 SIMPLIFYING A BIOPHYSICAL MODEL FOR AUDITORY HAIR CELLS. Jo seph M. Marcinik , Dolores Bozovic Molecular Dynamics III (Boards B480 - B499) 2286-Pos Board B480 COMBINING CHARMM36M AND OPC TO IMPROVE ACCURACY. Nicolai Kozlowski , Gabor Nagy, Helmut Grubmuller 2287-Pos Board B481 EXPLORING THE BINDING SELECTIVITY OF BET-ET DOMAINS THROUGH ADVANCED MOLECULAR DYNAMICS SAMPLING. Qianchen Quinn Liu , Alberto Perez 2288-Pos Board B482 CHARGE SCALING IN POTASSIUM CHANNEL SIMULATIONS: CONDUC TANCE, ION OCCUPANCY, VOLTAGE RESPONSE, AND SELECTIVITY. Cheng gong Hui , Reinier de Vries, Wojciech Kopec, Bert L. de Groot 2289-Pos Board B483 Travel Award Winner

THE CHARMM36 UNITED ATOM CHAIN MODEL, AND THE PROSPECTIVE DEVELOPMENT OF A UNITED ATOM POLARIZABLE FORCE FIELD FOR LIPIDS. Joshua Lucker , Nicholas Dadzie, Jeffery B. Klauda 2290-Pos Board B484 ENHANCED SAMPLING OF RARE EVENTS IN BIOMOLECULAR SIMU LATIONS: CONFORMATIONAL TRANSITIONS AND DRUG UNBIND ING. Suman Chakrabarty 2291-Pos Board B485 Travel Award Winner EXTENDING CONSTANT-PH MOLECULAR DYNAMICS TO MULTIPLE FORCE FIELDS. Joao G.N. Sequeira , Adrian E. Roitberg, Miguel Ma chuqueiro 2292-Pos Board B486 DEEP LEARNING-BASED FORCE FIELD FOR COARSE-GRAINED MOLECU LAR DYNAMICS. Kunwoo Kim , Jejoong Yoo 2293-Pos Board B487 MODELING THE EFFECTS OF MUTATIONAL AND GLYCOFORM PERTUR BATIONS IN HIV-1 GLYCAN SHIELD DYNAMICS. Dawning J. Fu , Raghaven dran Suresh, Natesan Mani, Srirupa Chakraborty 2294-Pos Board B488 CHARACTERIZATION OF TRPV1 MUTANTS IN CANCER: STRUCTURAL ANALYSIS AND DEVELOPMENT OF NOVEL INHIBITORS USING AI-BASED TOOLS AND MOLECULAR DYNAMICS. Emilio Salas, Javier Roumeau, Eric Gómez, Fernando Hinostroza, Maricel G. Kann, Romina V. Sepúlveda, Valeria Márquez-Miranda 2295-Pos Board B489 MECHANOSTABILITY-DRIVEN EVOLUTION OF STAPHYLOCOCCUS AUREUS ADHESIN SDRE AND ITS IMPACT ON ANTIBIOTIC RESISTANCE. Priscila S.F.C. Gomes , Pratik B. Vyas, Diego E. Barreto Gomes, Michael A. Nash, Rafael C. Bernardi 2296-Pos Board B490 Travel Award Winner GLYCAN-MEDIATED REGULATION OF IGG1 FC-CD16A INTERACTIONS: INSIGHTS FROM ALL-ATOM SIMULATIONS. Natesan Mani , Alla Polozova, Srirupa Chakraborty 2297-Pos Board B491 Travel Award Winner ATP-ION COMPLEXATION AND LITHIUM’S BIOACTIVE FORM. Julian A. Melendez , Sameer Varma 2298-Pos Board B492 CHALLENGES IN EQUILIBRIUM SAMPLING FOR ASSESSING COOPERATIV ITY IN A KEY HUB PROTEIN. Shelby D. Santos , Elisar J. Barbar, Daniel M. Zuckerman 2299-Pos Board B493 MICROSECOND TIMESCALE SINGLE MOLECULE DYNAMICS OF SARSCOV2 SPIKE PROTEIN USING DIFFRACTED X-RAY TRACK ING. Daisuke Sasaki , Hiroshi Sekiguchi, Kazuhiro Mio, Yuji C. Sasaki 2300-Pos Board B494 MOLECULAR DYNAMICS TRAJECTORY ANALYSIS OF PERMEATION (MD TAP): A TOOL TO ANALYZE PERMEATION EVENTS ACROSS MEMBRANE PROTEINS. Sruthi Sundaresan , Raghuvamsi Palur Venkata, Thenma larchelvi Rathinavelan 2301-Pos Board B495 ANALYSIS OF THE DYNAMICS OF A COMPLEX, MULTIPATHWAY REAC TION: INSULIN DIMER DISSOCIATION. Kwanghoon Jeong

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