BPS2024 Full Program & Abstracts

Platform Molecular Dynamics II 4:00 pm - 6:00 pm, Room 103AB

1788-Plat 4:15 pm ADVANCING CELL BIOLOGY BY UNIFYING OPEN-SOURCE MODELING AND FACILITATING BROAD COMMUNITY COLLABORATION. Megan Riel Mehan , Blair Lyons, Allen Institute for Cell Science, Graham Johnson 1789-Plat 4:30 pm TOWARDS A MINIMAL MARKOV MODEL FOR ROTARY CATALYSIS OF F 1 ATPASE. Yixin Chen , Helmut Grubmüller 1790-Plat 4:45 pm DEATH AND CHEMOTAXIS: DYNAMICS OF PHAGE-BACTERIA INTERAC TIONS IN CROWDED ENVIRONMENTS. Victoria G. Muir , Sujit S. Datta 1791-Plat 5:00 pm ACTIVE-LEARNING GUIDED AND HIGH-THROUGHPUT SYNTHESIS OF MEMBRANE PROTEINS. Cheemeng Tan 1792-Plat 5:15 pm DYNAMIC COMPARTMENTALIZATION AND SELF-ORGANIZATION OF ACTIVE BIOFLUIDS. Sebastian W. Krauss , Mithun Thampi, Paula Gironés Payá, Pierre-Yves Gires, Matthias Weiss 1793-Plat 5:30 pm POINT CLOUD TRANSFORMERS FOR PARAMETER INFERENCE OF LARGE SCALE TISSUE SIMULATIONS. Julian M. Herold , Alexander H. Schug, Eric Behle 1794-FlashTalk 5:45 pm MODELING THE EFFECTS OF NEAR-NEIGHBOR COOPERATIVE INTERAC TIONS ON CONTRACTILE DYNAMICS IN MURINE AND PORCINE MYO CARDIUM. Tuan Phan, Daniel P. Fitzsimons 1795-FlashTalk 5:50 pm SUPERDIFFUSIVE MOTION OF INFLUENZA A ON SURFACES. Siddhansh Agarwal , Boris Veytsman, Daniel A. Fletcher, Greg Huber 1796-FlashTalk 5:55 pm A BIFURCATION INTEGRATES INFORMATION FROM MANY NOISY ION CHANNELS AND ALLOWS FOR MILLIKELVIN THERMAL SENSITIVITY IN THE SNAKE PIT ORGAN. Isabella R. Graf , Benjamin B. Machta Platform Co-Chairs Chathuddasie amarasinghe, University of Tennessee, Knoxville, USA Lucy Brennan, University of California, Berkeley, USA 1797-Plat 4:00 pm Travel Award Winner INVESTIGATING THE CORRELATED DYNAMICS OF RIBOSOMES AND CHROMOSOMES IN ESCHERICHIA COLI . Chathuddasie I. amarasinghe , Mu-Hung Chang, Jaana Mannik, Scott T. Retterer, Maxim O. Lavren tovich, Jaan Mannik 1798-Plat 4:15 pm GENERATIVE AI EFFICIENTLY ENRICHES SCHI-C DATASETS AT HIGH RESO LUTION. Greg Schuette , Bin Zhang 1799-Plat 4:30 pm SPONTANEOUS HETEROCHROMATIN COMPARTMENTALIZATION IN A MINIMAL IN VITRO SYSTEM. Lucy D. Brennan , Gary Karpen 1800-Plat 4:45 pm LIVE-CELL SINGLE-MOLECULE IMAGING AND MAPPING OF HUMAN SWI/SNF CHROMATIN REMODELERS REVEAL MULTI-MODAL REGULA TORY LANDSCAPE AND CANCER-MUTANT-SPECIFIC SIGNATURES IN DNA-BINDING DYNAMICS. Wilfried Engl, Hendrik Sielaff, Aliz Kunstar Thomas, Siyi Chen, Woei Shyuan Ng, Ziqing Winston Zhao Chromatin and the Nucleoid 4:00 pm - 6:00 pm, Room 201AB

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Co-Chairs Mitsugu Araki, Kyoto University, Japan Jinhui Li, University at Buffalo SUNY, USA 1777-Plat 4:00 pm

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A MULTISCALE MOLECULAR SIMULATION APPROACH FOR ASSESSING THE EFFECTS OF MUTATION ON PROTEIN ACTIVITY AND DRUG SENSI TIVITY OF ONCOGENIC KINASES. Mitsugu Araki , Yasushi Okuno 1778-Plat 4:15 pm SEQUENCE-AGNOSTIC FG-NUPS SHOWED EMERGENCE OF SELECTIVITY AND SPECIFICITY IN A COARSE-GRAINED MODEL OF THE NUCLEAR PORE COMPLEX. Manoj K. Patel , Buddhapriya Chakrabarti, Ajay S. Panwar 1779-Plat 4:30 pm MECHANISTIC INSIGHTS INTO THE CAM-INDUCED DISRUPTION OF THE HBV CAPSID REVEALED BY ALL-ATOM MOLECULAR DYNAMICS SIMULA TIONS. Carolina Pérez Segura , Boon Chong, Jodi A. Hadden-Perilla 1780-Plat 4:45 pm MOLECULAR DYNAMICS SIMULATIONS OF THE STRUCTURAL EFFECTS OF ONCOGENIC MUTATIONS IN THE NUCLEOSOME. Augustine C. Ony ema , Rutika Patel, Phu K. Tang, Prabir Khatua, Sharon M. Loverde 1781-Plat 5:00 pm Travel Award Winner CONDENSATE COEXISTENCE IN GENE TRANSCRIPTION: MOLECULAR DYNAMICS INSIGHTS. Arya Changiarath Sivadasan , Lukas S. Stelzl, Jasper Michels 1782-Plat 5:15 pm SUGARS AND IONS SHAPE MUCIN’S PTS REGION: A MOLECULAR DY NAMICS PERSPECTIVE. Gargi Biswas 1783-Plat 5:30 pm RNA ADSORPTION DYNAMICS ONTO MEMBRANE MODELS FOR LIPID NANOPARTICLES. Viviana Monje-Galvan, Ricardo X. Ramirez , Matej Kanduč, Horacio V Guzman 1784-FlashTalk 5:45 pm LIPID MEDIATED ENTRY OF ANTIBIOTICS IN EMRE. Jessica Bodosa , Jef fery B. Klauda 1785-FlashTalk 5:50 pm EXPLORING THE CONFORMATIONAL LANDSCAPE OF THE INSULIN RE CEPTOR USING ADVANCED SAMPLING METHODS. amanda D. Stange , Nils A. Berglund, Birgit Schiøtt 1786-FlashTalk 5:55 pm COMPUTATIONAL MODELING OF SINGLE-MOLECULE CONDUCTANCE IN DESIGNER PEPTIDES. Moeen Meigooni , Rajarshi Samajdar, Hao Yang, Jialing Li, Martin Mosquera, Nick Jackson, Charles M. Schroeder, Emad Tajkhorshid Platform Systems and Whole Cell Modeling 4:00 pm - 6:00 pm, Room 113AB Co-Chairs Isabella Graf, Yale University, USA Cheemeng Tan, University of California, Davis, USA 1787-Plat 4:00 pm IMPACT OF GENE EXPRESSION STRATEGIES IN NEAR WHOLE-CELL MOD ELS OF MINIMAL BACTERIA. Troy A. Brier , Jay E. Cournoyer, Benjamin R. Gilbert, Zane R. Thornburg, John I. Glass, Christopher J. Fields, Angad P. Mehta, Zaida Luthey-Schulten

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