BPS2025 Full Program

735-Pos Board B519 IMPLEMENTATION OF ISOTROPIC PERIODIC SUM WITHIN POLARIZABLE GAUSSIAN MULTIPOLE MODEL FOR EFFICIENT SIMULATION OF LONG RANGE INTERACTIONS IN POLARIZABLE SYSTEMS. Zhen Huang , Ray Luo, Xiongwu Wu 736-Pos Board B520 ASSESSMENT OF POLARIZABLE AMOEBA-HFC FORCE FIELD IN PREDICT ING BIOMOLECULAR STRUCTURE AND DYNAMICS. Giorgio Schillaci , Julian A. Melendez, Guy W. Dayhoff, Sameer Varma 737-Pos Board B521 MOLECULAR DYNAMICS INSIGHT INTO ESTROGENIC ACTIVITY OF LIGNIN-DERIVED ALTERNATIVES TO BISPHENOLS A. Jinxin Lin , Josh V. Board B522 IMPLEMENTING A SOFT-CORE POTENTIAL FOR IMPROVED SAMPLING OF FREE ENERGY CALCULATIONS WITH VARIATIONALLY DERIVED INTER MEDIATES IN GROMACS. Aaron Christopher Globisch , Carsten Kutzner, Helmut Grubmuller 739-Pos Board B523 IMPACT OF IONIC STRENGTH, MEMBRANE CHARGE AND EXTERNAL PO TENTIAL ON ACIDIC RESIDUE PROTONATION IN OMPF CHANNEL. Marcel Aguilella-Arzo , Ernesto Tavares Neto, Vicente M. Aguilella 740-Pos Board B524 A RATE-LIMITING EVENT IN TDP-43 AGGREGATION ELUCIDATED BY DAMFRET AND MOLECULAR DYNAMICS SIMULATIONS. Jianzheng Wu, Jeevapani J. Hettige , Alex Von Schulze, Randal Halfmann 741-Pos Board B525 FREE-ENERGY LANDSCAPE OF UBIQUINONE/UBIQUINOL EXCHANGE IN THE PHOTOSYNTHETIC RC-LH1 SUPERCOMPLEX. Yosuke Teshirogi , Tohru Terada 742-Pos Board B526 MOLECULAR DYNAMICS SIMULATIONS OF CONFORMATIONAL CHANG ES IN MLKL INDUCED BY PHOSPHORYLATION. Ricardo X. Ramirez , Viviana Monje-Galvan 743-Pos Board B527 CHARACTERIZING THE CONFORMATIONAL LANDSCAPE OF AΒ 10-35 FROM WEIGHTED ENSEMBLE SIMULATIONS WITH THE DRUDE POLARIZABLE FORCE FIELD. Ashley Goodberlet , Justin A. Lemkul 744-Pos Board B528 MODELING AND SIMULATION OF THE BIO-POLYMER INTERFACE. Seonghan Kim , Zhefei Yang, Jan-Michael Carrillo, Panchapakesan Ga nesh, Scott Retterer 745-Pos Board B529 A PERIPHERAL COARSE-GRAINING SIMULATION METHOD FOR LARGE SCALE BIOMOLECULAR PROCESSES. Akarsh Kumar Dash , Hanyu Song, Board B530 ENHANCED SAMPLING OF PHOSPHORYLATED INTRINSICALLY DISOR DERED PROTEINS: A COMPUTATIONAL STUDY ON Β-CATENIN. Laura I. Gil Pineda , Justin A. Lemkul 747-Pos Board B531 PARALLELIZED GAUSSIAN ACCELERATED MOLECULAR DYNAMICS (PARGAMD): A HYBRID APPROACH COMBINING GAMD AND WEIGHTED ENSEMBLE METHOD FOR ENHANCED CONFORMATIONAL SAM PLING. Hung-Yu Wan , Surl-Hee Ahn, Siddharth Sonti 748-Pos Board B532 SIMULATED LIPID FUNCTIONAL GROUP POSITIONS AS PERTURBATIONS FOR 2D CORRELATION SPECTROSCOPY. Robert Allsopp , Curtis W. Meuse Vermaas 738-Pos Alvin Yu 746-Pos

749-Pos Board B533 INVESTIGATING CLASS IIA HDACS INTERACTIONS WITH MEF2A. Narayan Gautam , Sophia Wang, Aykut Üren, Prem P. Chapagain, Narayan P. Adhikari, Purushottam B. Tiwari 750-Pos Board B534 MULTIPOLE-ACCELERATED HAMILTONIAN INTERPOLATION FOR CON STANT-PH SIMULATIONS IN GROMACS. Bartosz Kohnke , Eliane Briand, Carsten Kutzner, Helmut Grubmuller 751-Pos Board B535 Travel Award Winner ANALYZING TDP1-PARP1 BINDING INTERFACE. Sophia Wang , Aykut Üren, Purushottam B. Tiwari 752-Pos Board B536 MULTISCALE SIMULATIONS OF NOTCH PROTEIN REVEAL LIGAND SPECI FICITY. Lipi Thukral Optical Microscopy and Superresolution Imaging I (Boards B537 - B554) 753-Pos Board B537 Travel Award Winner MEASURING PARP-1 MOBILITY AND CHROMATIN ORGANIZATION AT DNA DAMAGE SITES BY SEGMENTED FCS AND FRET. Elisa Longo , Silvia Scalisi, Greta Paterno, Luca Lanzano’ 754-Pos Board B538 ADVANCING GPCR OLIGOMERIZATION STUDIES THROUGH IFRET: A COMPREHENSIVE APPROACH. Michael R. Stoneman , Valerica Raicu 755-Pos Board B539 LIFETIME IMAGING OF METABOLIC CROSS-TALK BETWEEN MITOCHON DRIA AND NUCLEUS IN PROLIFERATIVE MUSCLE CELLS AND UPON THEIR DIFFERENTIATION. Rozhin Penjweini , Alessandra Pasut, Branden Roarke, Nikhil Mattu, Katie A. Link, Dan L. Sackett, Jay R. Knutson 756-Pos Board B540 SURFACE-GENERATED INTERFERENCE ENABLES SINGLE-OBJECTIVE LENS INTERFEROMETRIC 3D SUPER-RESOLUTION MICROSCOPY. Wei Wang, Hangfeng Li, Yilin Wang, Zengxin Huang, Pakorn Kanchanawong 757-Pos Board B541 FAST LARGE-AREA MULTIPHOTON EXOSCOPE (FLAME) FOR LABEL-FREE IN VIVO IMAGING OF IMMUNE CELLS IN HUMAN SKIN. Belén Torrado , Suman Ranjit, Amanda Durkin, Alexander Vallmitjana, Nicole Wakida, Kathryn Hinchee-Rodriguez, Jessica Shiu, Anand N. Ganesan, Mihaela Balu 758-Pos Board B542 TWO-PHOTON FLUORESCENCE POLARIZATION IMAGING OF CELLULAR NAD(P)H MEASURES DYNAMIC METABOLIC STATES WITHIN MDA MB-231 METASTATIC BREAST CANCER CELLS. Jack C. Crowley , Lu Ling, Matthew L. Tan, Claudia Fischbach, Warren R. Zipfel 759-Pos Board B543 EXPLORING THE INTERPLAY OF THE PHOTOSENSITIZER HYPERICIN WITH VIRAL MIMETIC MEMBRANES. Matteo Mariangeli , Simone Civita, Silvia Dante, Patricia Pedraz, Pietro Delcanale, Stefania Abbruzzetti, Cristina Flors, Cristiano Viappiani, Alberto Diaspro, Paolo Bianchini 760-Pos Board B544 IMAGING OF HUMAN RETROVIRUS ASSEMBLY IN 3D WITH DEEP LEARN ING. John Kohler , Kwang-Ho Hur, Jesse Donahue, Rayna M. Addabbo, Louis M. Mansky, Joachim D. Mueller

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