BPS2025 Full Program

Platform Computational Methods and Machine Learning, Artificial Intelligence, and Bioinformatics for Data Analysis 8:15 am - 10:15 am, Room 515B Co-Chairs Mitsugu Araki, Kyoto University, Japan Aarion Romany, University of Maryland, Baltimore, USA 1619-Plat 8:15 am DEEP LEARNING APPROACHES FOR PROTEIN DYNAMICS EXTRACTION FROM CRYO-EM MAPS AND STRUCTURE-BASED DE NOVO MOLECU LAR GENERATION. Mitsugu Araki , Shigeyuki Matsumoto, Biao Ma, Kei Terayama, Yasushi Okuno 1620-Plat 8:30 am EFFECT OF MEMBRANE COMPOSITION ON IRE1 DIMERIZATION QUAN TITATIVELY EXPOSED BY MACHINE LEARNING-ENHANCED PATH SAM PLING SIMULATIONS. Gianmarco Lazzeri , Emil Jackel, Roberto Covino 1621-Plat 8:45 am INTERPRETABLE REPRESENTATION LEARNING FOR 3D MULTI-PIECE INTRACELLULAR STRUCTURES IN HUMAN INDUCED PLURIPOTENT STEM CELLS USING POINT CLOUDS. Ritvik Vasan , Alexandra Ferrante, Antoine Borensztejn, Christopher L. Frick, Nathalie Gaudreault, Saurabh S. Mo gre, Benjamin Morris, Guilherme Pires, . Allen Institute for Cell Science, Susanne M. Rafelski, Julie A. Theriot, Matheus Palhares Viana 1622-Plat 9:00 am USING MULTISCALE ONE-DIMENSIONAL CONVOLUTIONAL NEURAL NET WORK FOR THE RAMAN SPECTRAL CLASSIFICATION OF BIOMOLECULES AND MODEL VISUALIZATION. Che-Lun Chin , Chia-En Chang, Ling Chao 1522-Pos 9:15 am Replacement Presenter COMPARISON OF PREDICTED LIGAND BINDING POSES INFORMS PRO TEIN STRUCTURAL MODEL SELECTION. Masha Karelina , Ron O. Dror 1624-Plat 9:30 am DISSECTING THE PATHWAYS AND MECHANISMS OF DRUG RESISTANCE EVOLUTION IN HIV. Avik Biswas , Indrani Choudhuri, Min Li, Zelin Shan, Allan Haldane, Robert Craigie, Ronald M. Levy, Dmitry Lyumkis 1625-Plat 9:45 am Travel Award Winner COMPUTATIONAL IDENTIFICATION AND IN VITRO VALIDATION OF DI VERSE NOVEL COMPOUNDS TARGETTING MYCOBACTERIUM TUBERCU LOSIS. Ruben E.A. Cloete 1626-FlashTalk 10:00 am FREE ENERGY MOLECULAR DYNAMICS-BASED ACTIVE LEARNING FOR STRUCTURE-BASED DRUG DESIGN. S. Benjamin Koby , Filipp Gusev, Evgeny Gutkin, Francesco Gentile, Fuqiang Ban, Olexandr Isayev, Artem Cherkasov, Maria G. Kurnikova 1627-FlashTalk 10:05 am DEVELOPING MULTI-TARGET COMPOUNDS AGAINST OXIDATIVE STRESS AND TAU AGGREGATION FOR ALZHEIMER’S USING MACHINE LEARNING AND PHYSICS-BASED MODELS. Luthary Segura , Elaine Zhao, Vincent Blay Rogers, Donald Sikazwe, Rafael Flores, Kwan Hon K. Cheng 1628-FlashTalk 10:10 am LEARNING MEMORY KERNEL PARAMETERS FOR COARSE-GRAINED SIM ULATIONS. Nikhil Ramesh , S. Banu Ozkan, Pedro Pessoa, Steve Pressé

Platform Condensates: From Properties to Physiology and Disease III 8:15 am - 10:15 am, Room 502A Co-Chairs Travel Award Winner SINGLE-MOLECULE FRET AND HOMOFRET DISSECTS KEY MOLECULAR EVENTS OF BIOLOGICAL PHASE SEPARATION. Ashish Joshi , Anuja Walimbe, Anamika Avni, Snehasis Sarkar, Lisha Arora, Sandeep K. Rai, Gaganpreet Kaur, Prince Jhandai, Dhruba Chatterjee, Indranil Banerjee, Samrat Mukhopadhyay 1630-Plat 8:30 am INTRINSIC DISORDER AS AN ORGANIZING PRINCIPLE FOR ENDOCYTOSIS. Susovan Sarkar , Jeanne C. Stachowiak, Feng Yuan, Brandon T. Malady, Jon Huibregtse, Jessica Perez, Liping Wang 1631-Plat 8:45 am MAPPING THE MOLECULAR ARCHITECTURE OF A COMPLEX BIOMO LECULAR CONDENSATE. Yuqi Tang, Stephen D. Fried 1632-Plat 9:00 am INTERROGATING THE EFFECTS OF PERTURBING MOLECULAR INTERAC TIONS IN BIOMOLECULAR CONDENSATES ACROSS LENGTH SCALES. Sean Moore , Katherine Morelli, Stephanie C. Weber, Jackie Vogel 1633-Plat 9:15 am NETWORKED INTERACTIONS IN BIOMOLECULAR CONDENSATES FORMED BY DISORDERED PROTEINS REVEAL STRUCTURAL AND DY NAMIC INHOMOGENEITIES. Daniel Tan , Dilimulati Aierken, Jerelle A. Joseph 1975-Pos 9:30 am Replacement Presenter THE ELECTROSOLVATION FORCE MAY PLAY A ROLE IN BIOMOLECULAR CONDENSATION. Madhavi Krishnan 1635-Plat 9:45 am WHAT IS THE STRUCTURE OF A BIOMOLECULAR CONDENSATE? Charlotta Lorenz , Teagan Bate, Sully Bailey-Darland, Takumi Matsuzawa, Kaarthik Varma, Tong Wang, Harsha Koganti, Nicola Galvanetto, Andrea Sottini, Matti Valdimarsson, Aleksander Rebane, Etienne Jambon-Puillet, Benjamin Schuler, Eric Dufresne 1636-FlashTalk 10:00 am VAMP2 CHAPERONES Α-SYNUCLEIN IN SYNAPTIC VESICLE CO-CONDEN SATES. Chuchu Wang 1637-FlashTalk 10:05 am MODEL BIOMOLECULAR CONDENSATE REGULATES ENZYME ACTIVITY BY SHIFTING ITS CONFORMATIONAL EQUILIBRIUM. Rosie Irwin , Robert Harkness, Brian Tsang, Lewis E. Kay, Julie D. Forman-Kay 1638-FlashTalk 10:10 am MEMBRANES INFLUENCE THE MORPHOLOGY OF OPTOGENETICALLY IN DUCED CONDENSATES IN LIVE MITOCHONDRIA. Sanjaya V. Aththawala Gedara , Surya Penna, Marina Feric Stephen D. Fried, Johns Hopkins University, USA Susovan Sarkar, University of Texas at Austin, USA 1629-Plat 8:15 am

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