BPS2024 Full Program & Abstracts

769-Pos Board B535 STUDYING OMPF CHANNEL TITRATION USING CONSTANT PH MOLECU LAR DYNAMICS SIMULATIONS. Ernesto Tavares Neto , Marcel Aguilella Arzo, Vicente M. Aguilella 770-Pos Board B536 ATOMIC-LEVEL CHARACTERIZATION OF HIV-1 ENVELOPE GLYCOPROTEIN CONFORMATIONAL STATES USING MOLECULAR DYNAMICS SIMULA TIONS. Stephanie M. Sauve , Maolin Lu, Mahmoud Moradi 771-Pos Board B537 LIPID MEDIATED ENTRY OF ANTIBIOTICS IN EMRE. Jessica Bodosa , Jef fery B. Klauda 772-Pos Board B538 GRAND CANONICAL SIMULATIONS OF DISORDERED PROTEINS. Rodrigo F. Dillenburg 773-Pos Board B539 K-MEANS CLUSTERING COARSE-GRAINING (KMC-CG): A NEXT GENERA TION METHODOLOGY FOR DETERMINING OPTIMAL COARSE-GRAINED MAPPINGS OF LARGE BIOMOLECULES. Jiangbo Wu , Weizhi Xue, Gregory A. Voth 774-Pos Board B540 EXPLORING THE CONFORMATIONAL LANDSCAPE OF THE INSULIN RE CEPTOR USING ADVANCED SAMPLING METHODS. Amanda D. Stange , Nils A. Berglund, Birgit Schiøtt 775-Pos Board B541 COMPUTATIONAL MODELING OF SINGLE-MOLECULE CONDUCTANCE IN DESIGNER PEPTIDES. Moeen Meigooni , Rajarshi Samajdar, Hao Yang, Jialing Li, Martin Mosquera, Nick Jackson, Charles M. Schroeder, Emad Tajkhorshid 776-Pos Board B542 Travel Award Winner IN SILICO ANALYSES OF MOLECULAR FORCE SENSORS FOR MECHANICAL CHARACTERIZATION OF BIOLOGICAL SYSTEMS. Diana L. Lopez , Marcos M. Sotomayor, Carlos E. Castro 777-Pos Board B543 SEQUENCE-AGNOSTIC FG-NUPS SHOWED EMERGENCE OF SELECTIVITY AND SPECIFICITY IN A COARSE-GRAINED MODEL OF THE NUCLEAR PORE COMPLEX. Manoj K. Patel , Buddhapriya Chakrabarti, Ajay S. Panwar 778-Pos Board B544 Travel Award Winner CONDENSATE COEXISTENCE IN GENE TRANSCRIPTION: MOLECULAR DY NAMICS INSIGHTS. Arya Changiarath Sivadasan , Lukas S. Stelzl, Jasper Board B545 A MULTISCALE MOLECULAR SIMULATION APPROACH FOR ASSESSING THE EFFECTS OF MUTATION ON PROTEIN ACTIVITY AND DRUG SENSI TIVITY OF ONCOGENIC KINASES. Mitsugu Araki , Yasushi Okuno 780-Pos Board B546 RNA ADSORPTION DYNAMICS ONTO MEMBRANE MODELS FOR LIPID NANOPARTICLES. Viviana Monje-Galvan , Ricardo X. Ramirez, Matej Kanduč, Horacio V Guzman 781-Pos Board B547 SIMULATIONS OF LIQUID JET EXPLOSIONS AND SHOCK WAVES INDUCED BY X-RAY FREE-ELECTRON LASERS. Leonie Chatzimagas , Jochen S. Hub 782-Pos Board B548 MECHANISTIC INSIGHTS INTO THE CAM-INDUCED DISRUPTION OF THE HBV CAPSID REVEALED BY ALL-ATOM MOLECULAR DYNAMICS SIMULA TIONS. Carolina Pérez Segura , Boon Chong, Jodi A. Hadden-Perilla 783-Pos Board B549 Michels 779-Pos

COMPARATIVE STUDY OF IM7 DYNAMICS: CHARMM36M VS DRUDE2019 FORCE FIELDS WITH NMR VALIDATION. Sangram Prusty , Rafael Brüschweiler, Qiang Cui 784-Pos Board B550 SYNERGISTIC APPROACHES TO ELUCIDATION OF ENZYME MECHA NISMS/DYNAMICS. Mikaela Farrugia , Olaf Wiest, Paul Helquist Optical Spectroscopy: CD, UV-VIS, Vibrational, Fluorescence (Boards B551 - B564) 785-Pos Board B551 A HYPERSPECTRAL RAMAN MICROSCOPE USING BESSEL BEAM LINE SCANNING. Ellyse Taylor 786-Pos Board B552 FLUORESCENCE LIFETIME AS A REPORTER OF TENSION IN MODEL LIPID DROPLETS. Katherine Truex , Matthew A. Sanders, James G. Granneman, Christopher V. Kelly 787-Pos Board B553 DEVELOPMENT OF A NON-RADIOACTIVE BASED ASSAY TO MEASURE GTP AND ATP HYDROLYSIS RATES. Samuel Biya-Sambian , Dylan Girodat, Teslie C. Sehorn 788-Pos Board B554 MOLAR EXTINCTION COEFFICIENT ESTIMATION OF DYES FROM THREE BIOPHYSICAL TECHNIQUES. Jeffrey M. Schaub , Quinn A. Best, Cheng Zhao, Richard A. Haack, Qiaoqiao Ruan 789-Pos Board B555 RAMAN SPECTROSCOPIC REPORTING OF OXIDATIVE STRESS VIA IN TRINSIC PROBES. Mary K. Lavin , Krysta M. Nichols, Lena Hsia, Casey H. Londergan 790-Pos Board B556 ENHANCING FLUOROPHORE-INDUCED PLASMONIC CURRENT FOR CON VERTING SOLAR ENERGY. Lahari Saha , Chris D. Geddes 791-Pos Board B557 A REVISED CHEMICAL SYNTHESIS OF RIBOGLOW-FLUORESCENCE LIFE TIME IMAGING MICROSCOPY (FLIM) PROBES TO IMAGE RNA. Aaron R. Van Dyke , Luke K. Shafik, Nadia Sarfraz, Esther Braselmann 792-Pos Board B558 OPTICAL SENSORS TO MEASURE MICROFLUIDIC PRESSURE, CONCEN TRATION, AND PARTICLE-SIZE IN AN RNA-THERAPEUTIC MANUFACTUR ING PLATFORM. Babak Sanii , Jodi Loo, Adib Ahmadzadegan, Benjamin Travel Award Winner LABEL-FREE VISUALIZATION OF THE CELL CYCLE AND MITOSIS. Michael J. Burke , Victor S. Batista, Caitlin M. Davis 794-Pos Board B560 SINGLE CELL METABOLIC PROFILING USING COHERENT RAMAN MICRO SPECTROSCOPY. Sam T. Freer , Sapun H. Parekh 795-Pos Board B561 QUANTIFYING DYNAMICAL PROPERTIES OF CORE PLANAR POLARITY PROTEINS. Manoj Prasad , Hongyu Shao, Helen Strutt, Ashley J. Cadby, David Strutt 796-Pos Board B562 Travel Award Winner HIGH-THROUGHPUT AND MULTI-PARAMETRIC BIOPHYSICAL CELL PHE NOTYPING WITH SMART PROBES. Cenk Gurdap , Luca Andronico, John Cowgill, Erdinc Sezgin 797-Pos Board B563 Eldridge 793-Pos Board B559

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