BPS2025 Full Program

2302-Pos Board B496 SIMPLEARBD: STREAMLINING CONNECTIONS BETWEEN BROWNIAN DYNAMICS AND MOLECULAR DYNAMICS FOR SPEEDY GENERATIONS OF HIGH-QUALITY DATA THROUGH MULTI-SCALE MOLECULAR SIMU LATIONS. Chun Kit Chan , Christopher M. Maffeo, Emad Tajkhorshid, Abhishek Singharoy 2303-Pos Board B497 THE GQ-SPECIFIC INHIBITOR YM-254890 IS AN ALLOSTERIC GLUE. Tony Trent , Gregory Bowman 2304-Pos Board B498 DEVELOPMENT AND BENCHMARKING OF THE OPEN FORCE FIELD INITIATIVE SELF-CONSISTENT FORCE FIELD FOR PROTEINS AND SMALL MOLECULES. Chapin E. Cavender , Pavan K. Behara, Anika J. Friedman, Joshua T. Horton, Alexandra R. McIsaac, Louis G. Smith, Matthew W. Thompson, Jeffrey Wagner, Lily Wang, Brent R. Westbrook, John D. Ch odera, Daniel Cole, David L. Mobley, Michael R. Shirts, Michael K. Gilson 2305-Pos Board B499 MEMBRANE ELASTIC PROPERTIES WITHOUT STRESS. Alexey M. Nest erenko, Otto Schullian, Reinhard Lipowsky, Markus S. Miettinen Computational Methods and Machine Learning, Artificial Intelligence, and Bioinformatics for Data Analysis (Boards B500 - B531) 2306-Pos Board B500 IMPROVING PARAMETER INFERENCE FOR ISOTHERMAL TITRATION CALORIMETRY USING BAYESIAN ANALYSIS ON MULTIPLE DATASETS. Lisa Otten , Douglas R. Walker, Elisar J. Barbar, Daniel M. Zuckerman 2307-Pos Board B501 A TALE OF TRAFFICKING: ON PROLACTIN RECEPTOR LOCALIZATION IN PANCREATIC Β-CELLS. Lynne Cherchia , Scott E. Fraser, Falk Schneider, Stacey D. Finley 2308-Pos Board B502 PREDICTION OF EFFECTS OF MISSENSE MUTATION ON BIOCHEMICAL FUNCTION. Mary Jo Ondrechen , Emily Micheloni, Lakindu PathiraKank anamge, Penny Beuning 2309-Pos Board B503 BAYESIAN SINGLE-PARTICLE TRACKING USING NORMALIZING FLOWS. Jay C. Spendlove , Pedro Pessoa, Weiqing Xu, Steve Pressé 2310-Pos Board B504 Travel Award Winner BAYESIAN INFERENCE OF MOLECULAR MACHINE KINETIC MODELS WITH INCOMPLETE DATA. Leah Repa , David L. Stokes, Oliver Beckstein 2311-Pos Board B505 Travel Award Winner MDANCE: FLEXIBLE AND VERSATILE N -ARY CLUSTERING PACKAGE. Lexin Chen , Ramon Miranda-Quintana 2312-Pos Board B506 Travel Award Winner CAPTURING LARGE CONFORMATIONAL CHANGES IN PROTEINS BY THE ENHANCED GŌMARTINI 3 APPROACH. Adolfo B. Poma , Luis F. Cofas Vargas, Gustavo E. Olivos-Ramirez, Jesús Antonio Rauda-Ceja, Adrián Durán-Vargas, Thu Thi Minh Tran 2313-Pos Board B507 EFFECTS OF CONFORMATIONS OF GD-CRYSTALLIN ON DISTRIBUTIONS OF AGGREGATION NETWORKS. Elizabeth M. Diessner , Carter T. Butts, J. Alfredo Freites, Douglas J. Tobias 2314-Pos Board B508 PREDICTING GENERALIZED-BORN MOLECULAR SOLVATION ENERGIES USING AN ACTIVE-LEARNING NEURAL NETWORK ENSEMBLE. Vahe M. Grigorian , Ezequiel Donovan, Alexander McMahon, Tyler Luchko

2315-Pos Board B509 SINGLE-MOLECULE X-RAY SCATTERING AT ATOMISTIC RESOLUTION AND WITHOUT HIT SELECTION. Steffen Schultze , D. Russell Luke, Helmut Grubmueller 2316-Pos Board B510 DIFFERENTIABLE MULTI-SHOT IMAGE RECONSTRUCTION FOR FAST, PRIOR-FREE BIOLOGICAL STRUCTURE DETECTION IN VIVO. Ziyang Yu , Thaisa Luup Carvalho Kannen, Kaitlin Szederkenyi, Aaron Au, Christo pher M. Yip 2317-Pos Board B511 SPTNET: A DEEP LEARNING BASED FRAMEWORK FOR END-TO-END SINGLE PARTICLE TRACKING AND MOTION DYNAMICS ANALYSIS. Cheng Bi , Kevin L. Scrudders, Yue Zheng, Hao-Cheng Gao, Li Fang, Yilun Li, Shalini T. Low-Nam, Fang Huang 2318-Pos Board B512 UNVEILING THE INTRICACIES OF HISTONE TAILS DYNAMICS USING MAR KOV STATE MODEL APPROACH. Rutika Patel , Sharon M. Loverde 2319-Pos Board B513 MULTI-VIEW MACHINE LEARNING FOR MASSIVELY MULTIPLEXED BIOLOGICAL FLUORESCENCE IMAGING USING EXCITATION-EMISSION AND PHOTOBLEACHING DYNAMICS. Ruogu Wang , Yunlong Feng, Alex M. Valm 2320-Pos Board B514 PHYLOGENETIC CORRECTIONS AND HIGHER-ORDER SEQUENCE STATIS TICS IN PROTEIN FAMILIES: THE POTTS MODEL AND MSA TRANSFORM ER SHOWDOWN. Kisan Khatri , Ronald M. Levy, Allan Haldane 2321-Pos Board B515 HIGH-THROUGHPUT FRAMEWORK FOR HIGH-RESOLUTION ANALYSIS OF SYNAPTIC ARCHITECTURE. Cameron Baenen , Samuel J. Fulton, Aaron Uy, Xiaobing Chen, Thomas S. Reese, Richard D. Leapman, Maria A. Aronova 2322-Pos Board B516 MACHINE VISION PIPELINE TO ELUCIDATE STRUCTURAL UNDERPIN NINGS OF BLOOD CLOT FORMATION. Samuel J. Fulton , Cameron Baenen, Maria A. Aronova, Brian Storrie, Irina D. Pokrovskaya, Elizabeth R. Driehaus, Sidney W. Whiteheart, Richard D. Leapman 2323-Pos Board B517 LET-7A AS A POSSIBLE THERAPEUTIC TARGET FOR EWING’S SARCO MA. Mubasher Hassan, Saba Shahzadi, Andrzej Kloczkowski 2324-Pos Board B518 INVESTIGATING THE WRAPPING DYNAMICS OF ANISOTROPIC MICRO PLASTICS BY FLUID VESICLES: A COMPUTATIONAL APPROACH. Didarul Ahasan Redwan, Xin Yong 2325-Pos Board B519 DECODING UNBIASED DNA DYNAMICS VIA DGM: B→A CASE STUDY. Namindu Rangana De Silva 2326-Pos Board B520 WHY COUNTING PARTICLES CAN GIVE WRONG PROBABILITIES IN CRYO EM. Luke Evans , Lars Dingeldein, Marc Aurèle Gilles, Erik H. Thiede, Pilar Cossio 2327-Pos Board B521 REFINEMENT OF THE AMBER FORCE FIELD FOR RNA: IMPROVING THE DESCRIPTION OF NON-BONDED INTERACTIONS. Anees Mohammed Keedakkatt Puthenpeedikakkal , Chapin E. Cavender, David H. Mathews

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