BPS2026 Program Book

155-Plat 5:30 pm CAPTURING STRUCTURAL HETEROGENEITY IN ENZYMATIC CATALYSIS BY ADENYLATE KINASE. Konstantinos Magkakis, Fredrik Orädd, Magnus Andersson 156-FlashTalk 5:45 pm ALLOSTERIC MECHANISMS OF THE AAA+ ATPASE VCP/P97 DURING NUCLEOTIDE AND SUBSTRATE BINDING. Martin Kulke , Ernest Hamza gic, Smruti R. Rout, Maxim Droemer, Vasileios Xanthis, Eri Sakata, Anne K. Schuetz, Martin Zacharias 157-FlashTalk 5:50 pm PROBING PROTEIN ENERGY LANDSCAPES IN HIGH THROUGHPUT. Eva Gerber , Miriam Hood, Susan Marqusee 158-FlashTalk 5:55 pm COMPUTATIONAL DESIGN OF PROTEIN ALLOSTERY. Devlin C. Swanson , Neville Bethel Platform Protein-Lipid Interactions 4:00 pm - 6:00 pm, Room 207/208 Co-Chairs Kallol Gupta, Yale University, USA Lu Zhao, Washington University in Saint Louis, USA 159-Plat 4:00 pm Travel Award Winner RHODOPSIN AS THE HYDROGEN ATOM OF LIPID BIOPHYSICS. Evelyn W. Cheng , Zachary T. Bachler, Maya N. Arruda, C. Swathi K. Menon, Alexan der V. Barmasov, Andrey V. Struts, Michael F. Brown 160-Plat 4:15 pm Travel Award Winner ELUCIDATING THE INTERACTION OF APOLIPOPROTEINS WITH ABCA7 IN NEURODEGENERATIVE DISEASES. Lesley A. Canseco , Skylar Grimsley, Chrystal Starbird 161-Plat 4:30 pm FUNCTIONAL CONSEQUENCES OF NANOSCALE HETEROGENEITY IN RNA-LOADED LIPID NANOPARTICLES. Artu’ Breuer , Georgios Kyriakakis, Marcus W. Dreisler, Georgios Bolis, Frank Schulz, Ntaniela Spacho, Vasilis Papageorgiou, Stavroula Margaritaki, Nikos S. Hatzakis 162-Plat 4:45 pm DEVELOPING A SIMULATION PIPELINE TO PREDICT PHOSPHOINOSITIDE LIPID BINDING SITES ON ION CHANNELS. Yiyang Wang , Yiechang Lin, Ruitao Jin, Ben Corry 163-Plat 5:00 pm MEMBRANE CONTACT PROBABILITY PREDICTION AND PROTEOME WIDE MEMBRANE PROTEIN SCREENING. Lei Wang , Chen Song 164-Plat 5:15 pm DETECTING HETEROGENEOUS ASSEMBLIES OF MEMBRANE PROTEINS AND LIPIDS ON ORGANELLAR MEMBRANES THROUGH A NOVEL SINGLE ION NATIVE MASS SPECTROMETRY PLATFORM. Samantha Shepherd, Rachel McAllister, Moitrayee Bhattacharyya, Kallol Gupta 165-Plat 5:30 pm Travel Award Winner THE MEMBRANE BIOPHYSICS OF ABHD5-REGULATED LIPOLYSIS. Shahn az Parveen , James G. Stebelton, Anuradha Yadav, Matthew A. Sanders, Amit Kumar, Katherine Truex, Y Mindy Huang, James G Granneman, Christopher V. Kelly 166-FlashTalk 5:45 pm A LIPID PLUG AFFECTS K 2P 6.1(TWIK-2) FUNCTION. Abhisek Mondal , Sangeeta Niranjan, Daniel L. Minor

167-FlashTalk 5:50 pm STRUCTURAL BASIS FOR MTORC1 PHOSPHORYLATION OFCANONICA LANDNON-CANONICAL SUBSTRATES. Zhicheng Cui , James H. Hurley 168-FlashTalk 5:55 pm ALLOSTERIC COUPLING BETWEEN A LIPID BILAYER AND A MEMBRANE PROTEIN. Yanna Gautier , Jérôme Hénin, Guillaume Stirnemann Platform Computational Biophysics: Molecular Dynamics, AI/ML, and Bioinformatics I 4:00 pm - 6:00 pm, Room 209/210/211 Co-Chairs Colin Klaus, University of Chicago, USA Neetu Yadav, Michigan State University, USA 169-Plat 4:00 pm PROTEIN BINDING LANDSCAPES WITH ENHANCED SAMPLING-DRIVEN COARSE-GRAINING. Chengxi Yang , Chengyu Kuang, Weizhi Xue, Dovy das Vasiliauskas, Gregory A. Voth 170-Plat 4:15 pm Travel Award Winner SHAPING PROTEIN EVOLUTION WITH BIOPHYSICAL FITNESS LANDSCAPE DESIGN. Vaibhav Mohanty , Eugene I. Shakhnovich 171-Plat 4:30 pm DIFFUSION MODELS FOR ACCELERATING MOLECULAR DYNAMICS: SYNTHETIC TRAJECTORY GENERATION AND FREE ENERGY RECONSTRUC TION. Soheil Jamali , Jiahui Chen, fauzia haque, Mahmoud Moradi 172-Plat 4:45 pm UNRAVELING METABOLITE TRANSPORT PATHWAYS IN BACTERIAL MI CROCOMPARTMENTS USING ENHANCED SAMPLING. Neetu S. Yadav , Josh V. Vermaas 173-Plat 5:00 pm LEVERAGING NEURAL NETWORKS TO CORRECT FOLDX FREE ENERGY ES TIMATES. L. America Chi , Jonathan Barnes, Shubham Pandey, F. Marty Ytreberg, Jagdish Patel 174-Plat 5:15 pm CAPTURING RARE EVENTS WITH NEW PATH SAMPLING ALGORITHMS: EXACT MEMBRANE PERMEATION KINETICS OF 5-ALA FROM ∞RETIS SIMULATIONS. Sina Safaei, Lukas Baldauf, Titus van Erp, An Ghysels 175-Plat 5:30 pm STEERING STRUCTURE PREDICTIONS OF MECHANICAL PROTEINS USING TWISTED DIFFUSION SAMPLING AND ARBITRARY BAYESIAN LIKELI HOODS. Colin Klaus , Marcos M. Sotomayor 176-FlashTalk 5:45 pm FREE ENERGY CALCULATIONS ENHANCED BY DENOISING DIFFUSION PROBABILISTIC MODEL FOR MEMBRANE PORE FORMATION. Jessica Bodosa , Richard W. Pastor 177-FlashTalk 5:50 pm ENHANCED SAMPLING OF LIGAND BINDING COUPLED TO RNA CONFOR MATIONAL DYNAMICS. Revanth Elangovan , Dhiman Ray 178-FlashTalk 5:55 pm SINGULARITY-FREE FORCE FIELDS FOR FREE ENERGY PERTURBATION: A NEW FRAMEWORK FOR ROBUST ALCHEMICAL SIMULATIONS. Zhen Huang , Yong Duan, Xiongwu Wu, Ray Luo

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