BPS2025 Full Program

Platform Voltage-Gated K Channels II 1:00 pm - 3:00 pm, Room 515A

Platform Computational Methods and Machine Learning, Artificial Intelligence, and Bioinformatics for Inference 1:00 pm - 3:00 pm, Room 515B Co-Chairs Travel Award Winner STRENGTH TRAINING: MACHINE LEARNING THE BINDING AFFINITIES OF MODULAR SIGNALING DOMAINS. Julia R. Rogers , Mohammed Canceled A MACHINE LEARNING APPROACH FOR IDENTIFYING DETERMINANTS OF WNT PROTEIN-PROTEIN INTERACTIONS. Tiffany J. Callahan, Kevin Jose Cheng, Michael Sauer, Jie Shi, Matthias Heyden, Taras Pogorelov, Sara Capponi 2489-Plat 1:30 pm MOLECULAR DYNAMICS-BASED LETHALITY PREDICTOR FOR OSTEOGEN ESIS IMPERFECTA WITH DYNAMICS-INFORMED GRAPH REPRESENTA TION. Yen-Lin Chen, Wei-Han Hui, Shu-Wei Chang 2490-Plat 1:45 pm A MATTER OF PERSPECTIVE: INTEGRATIVE ENSEMBLE MODELING OF VIRAL PROTEINS. Kenneth Huang , Monita Muralidharan, Amy Diallo, Yulia Gutierrez, Robyn Kaake, Kliment A. Verba, Danielle Swaney, Nevan Krogan, Ignacia Echeverria, Andrej Sali 2491-Plat 2:00 pm ELUCIDATING INTERACTION NODES CREATED BY HYDROPHOBIC RESI DUES AND SUBSEQUENCES IN PROTEINS. Connor Pitman , Anthony Geneva, Matthew Hansen, Grace H. Brannigan 2492-Plat 2:15 pm MAPPING MEMBRANE PROTEIN CONFORMATIONAL STATES BY INTE GRATING SMALL-ANGLE NEUTRON SCATTERING WITH ALPHAFOLD. Samuel Eriksson Lidbrink, Rebecca J. Howard, Nandan Haloi, Erik Lindahl 2493-Plat 2:30 pm RFDIFFUSION AND MD SIMULATIONS: CRAFTING PEPTIDES TO OUT SMART ALZHEIMER’S DISEASE. Vincent Nieto , Nils A. Berglund, Malene Overby 2494-FlashTalk 2:45 pm Travel Award Winner MUTATIONS IN DRUG BINDING SITES: INTEGRATING COMPUTATIONAL CHEMISTRY AND MACHINE LEARNING TO UNDERSTAND MUTATION-IN DUCED RESISTANCE. Katarzyna Mizgalska , Wayne C. Guida, Aleksandra M. Karolak 2495-FlashTalk 2:50 pm DEEP-LEARNING STRUCTURE ELUCIDATION FROM SINGLE-MUTANT DEEP MUTATIONAL SCANNING. Steffen Lindert 2496-FlashTalk 2:55 pm EPISTATIC MODELS AND LATENT GENERATIVE LANDSCAPES DISTIN GUISH PROTEINS WITH FAVORABLE IN VIVO ANTIBIOTIC FUNCTIONAL ITY. Sophia Alvarez , Charisse M. Nartey, Jose A. De la Paz, Nicholas Mercado, Alyssa Trasporto, Vladimir Volobouev, Faruck Morcos AlQuraishi 2488-Plat 1:15 pm Steffen Lindert, Ohio State University Julia Rogers, Columbia University, USA 2487-Plat 1:00 pm

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Co-Chairs Verena Burtscher, Washington University in St. Louis, USA Gucan Dai, Saint Louis University, USA 2477-Plat 1:00 pm MOLECULAR DETERMINANTS OF PROPOFOL INHIBITION OF HCN1 CHANNEL FUNCTION. Verena Burtscher , Lei Wang, John Cowgill, Yongchang Chang, Zi-Wei Chen, Christopher Edge, Edward Smith, Alex S. Evers, Baron Chanda 2478-Plat 1:15 pm CHLORPROMAZINE INHIBITS EAG1 CHANNELS BY ALTERING THE COU PLING BETWEEN THE PAS, CNBH AND PORE DOMAINS. Ze-Jun Wang , Mahdi Ghorbani, Xi Chen, Purushottam Tiwari, Jeffery B. Klauda, Tinatin Travel Award Winner A HERG1 NUCLEAR PEPTIDE MODULATES BOTH KIR2.X AND HERG1 CHANNELS FUNCTION WITHIN A MACROMOLECULAR COMPLEX. Eric N. Jiménez-Vázquez , Abhilasha Jain, David K. Jones 2480-Plat 1:45 pm OPTICAL INVESTIGATIONS OF VOLTAGE-SENSOR DOMAIN ACTIVA TION IN K V 2.1/K V 6.4 CHANNELS. Sumeyye Suheda Yasarbas , Michelle Nilsson, Debanjan Tewari, Christian Sattler, Klaus Benndorf, Antonios Pantazis 2481-Plat 2:00 pm PHASOR FLIM-FRET ANALYSIS OF VOLTAGE SENSOR CONFORMATIONAL HETEROGENEITY IN HERG POTASSIUM CHANNELS. Gucan Dai , Lucas J. Handlin, Erin N. Lessie 2482-Plat 2:15 pm STRUCTURAL BASIS OF SHAKER KV CHANNEL GATING AND 4-AMINO PYRIDINE BINDING REVEALED BY CLOSED-STATE MODEL. Bernardo I. Pinto , Francisco Bezanilla 2483-Plat 2:30 pm CURRENT-VOLTAGE CHARACTERISTICS IN POTASSIUM CHANNELS BY MOLECULAR DYNAMICS AND MARKOV STATE MODELS. Luigi Catacuz zeno, Maria Vittoria Leonardi, Fabio Franciolini, Antonio Michelucci, Carmen Domene, Simone Furini 2484-FlashTalk 2:45 pm CONFORMATIONAL DYNAMICS OF THE BINDING POCKET REVEAL THE STATE-DEPENDENT HERG CHANNEL BLOCKADE BY DIVERSE DRUG COM POUNDS. Ramya Bandarupalli , Jing Li 2485-FlashTalk 2:50 pm WHERE POSITIVITY MEETS SPECIFICITY: A DESIGNER PEPTIDE AS A NOVEL PORE BLOCKER OF THE VOLTAGE-GATED POTASSIUM CHANNEL KV1.5. Mahasweta Nayak , Ruiming Zhao, Steven Goldstein 2486-FlashTalk 2:55 pm CASTING AN AI-POWERED NET: INTEGRATING ALPHAFOLD WITH MOLECULAR DYNAMICS TO IDENTIFY THE NATURAL TARGET OF A CONE SNAIL TOXIN. Izhar Karbat , Sapir Nutkewitz, Daria Adam, Maytal Katz, Eitan Reuveny I. Brelidze 2479-Plat 1:30 pm

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