Biophysical Society 67th Annual Meeting Program Guide

Computational Methods and Machine Learning, Artificial Intelligence, and Bioinformatics I (Boards B498 - B532) 677-pos Board B498 MIDLS - MEMBRANE DETECTION IN CRYO-EM USING DEEP LEVEL SETS. Christopher JF Cameron , Frederick J. Sigworth, Mark Gerstein, Hemant D Tagare 678-pos Board B499 ACCOORD - AN ENSEMBLE METHODOLOGY FOR CRYO-EM PARTICLE PICKING. Christopher JF Cameron , Sebastian JH Seager, Hemant D Tagare, Mark Gerstein 679-pos Board B500 DAQ-REFINE: PROTEIN STRUCTURE MODEL EVALUATION AND REFINE MENT FOR CRYO-EMMAPS. Genki Terashi , Xiao Wang, Daisuke Kihara 680 -pos Board B501 RAPID COARSE-GRAINED SIMULATION OF WHOLE CRYO-TOMO GRAMS. Carson Purnell , Jessica Heebner, Matthew T. Swulius 681-pos Board B502 FLUORESCENCE LIFETIME ANALYSIS OF SMFRET WITH CONTRIBUTION OF PIFE ON DONOR AND ACCEPTOR. Sina Jazani , Taekjip Ha 682-pos Board B503 QUANTIFYING BINDING KINETICS WITH FLUORESCENCE MICROSCO PY. Shep Bryan IV , Steve Pressé, Dirk-Peter Herten, Stanimir Tashev, Johan Hummert, Klaus Yserentant 683-pos Board B504 FLUORESCENT SINGLE PARTICLE TRACKING ENABLES HIGH SENSITIVITY VISCOMETRY MEASUREMENTS OF MICRO-VOLUME SAMPLES. Karen L. Lopez , Francesco Palomba, Michelle A. Digman 684-pos Board B505 SIMULATION-BASED INFERENCE OF SINGLE-MOLECULE FORCE SPEC TROSCOPY. Roberto Covino , Pilar Cossio, Lars Dingeldein 685-pos Board B506 A PYTHON-OPENCV BASED SOFTWARE FOR PROCESSING SINGLE-BACTE RIUM TRACKING MICROSCOPY VIDEOS. Zhiwen Tu , Xianan Qin 686 -pos Board B507 FULLY AUTOMATED ANALYSIS OF NMR DATA WITH BAYESIAN NONPARA METRIC STATISTICAL LEARNING. Ioannis Sgouralis , Kelechi Akwataghibe, Mubark Mebrat, Wade D. Van Horn 687-pos Board B508 SSPINE/SSPINE-POKY: AUTOMATED CHEMICAL SHIFT ASSIGNMENT WITH AN INTUITIVE GRAPHICAL USER INTERFACE FOR SOLID-STATE NMR DATA FROM COMPLEX PROTEIN SYSTEMS. Andrea E. Lopez , Adilakshmi Dwarasala, Mehdi Rahimi, John L. Markley, Woonghee Lee 688 -pos Board B509 OPTIMIZATION OF HYDROGEN-DEUTERIUM EXCHANGE ENSEMBLE REWEIGHTING (HDXER) TO AID THE BIOPHYSICAL CHARACTERIZATION OF PROTEINS. Ally K. Smith , Daniel J. Deredge 689-pos Board B510 BIOMOLECULE CLASSIFICATION BY MULTISCALE ONE-DIMENSIONAL CONVOLUTIONAL NEURAL NETWORK. Chia-En Chang 690-pos Board B511 A DEEP-LEARNING MODEL FOR GRID-BASED SOLVATION FREE ENER GY. Yusaku Fukushima , Takashi Yoshidome 691-pos Board B512 USING SITEMAP TO AID IN THE IDENTIFICATION OF CRYPTIC BINDING POCKETS. Yunhui Ge , Kelly Ganamet

662-pos Board B483 THE UNIQUE Q493R MUTATION DRIVES INTERFACIAL INTERACTIONS IN THE SARS-COV-2 OMICRON VARIANT S1-RBD: ACE2-COMPLEX. Angelin Board B484 UNDERSTANDING THE MECHANISMS OF INCREASED PATHOGENICITY AND VIRULENCE OF SARS-COV-2 DELTA AND OMICRON VARIANTS. Mandira Dutta , Gregory A. Voth 664-pos Board B485 INVESTIGATING MUTANT HYDROPHOBIC PATCH EXPOSURE IN TROPONIN C USING MOLECULAR DYNAMICS-BASED FREE ENERGY METHODS. William T. Higgins , Jacob D. Bowman, Steffen Lindert 665-pos Board B486 INVESTIGATION OF NONSELECTIVE CATION PERMEATION THROUGH CNGA1 CHANNELS BY MD SIMULATIONS. Haoran Liu , Han Sun 666 -pos Board B487 Travel Award Winner USING TETRAPEPTIDE GSSS AND Β-CATENIN 17-48 TO STUDY THE EFFECTS OF PHOSPHOSERINE ON POLYPEPTIDE CONFORMATIONAL ENSEM BLES. Laura I. Gil Pineda , Justin A. Lemkul 667-pos Board B488 EXPLORING THE CONFORMATIONAL DYNAMICS OF THE DISORDERED LID REGION OF HDM2 N-TERMINAL DOMAIN WITH MOLECULAR DYNAM ICS SIMULATION. Kazuki Watanabe , Weitong Ren, Qingci Zhao, Ryosuke Iwatsuki, Noritaka Nishida, Yuji Sugita 668 -pos Board B489 PREDICTING PATHOGENICITY OF VARIANTS IN THE CARDIAC THIN FILA MENT USING NEURAL NETWORKS. Allison B. Mason , Jil C. Tardiff, Steven D. Schwartz 669-pos Board B490 MOLECULAR DYNAMICS SIMULATIONS OF F 1 -ATPASE’S ANGULAR FLUC TUATIONS AND ASSOCIATED RESTORING FORCE. Matthew A. Anderson , Babak Sanei, Nathan Suiter, Sandor Volkan-Kacso 670-pos Board B491 PREDICTION OF ⍺ -MORFS AND FOLDING FREE ENERGIES IN INTRINSI CALLY DISORDERED PEPTIDES. Sthitadhi Maiti , Matthias Heyden 671-pos Board B492 DYNAMICS AND THERMOSTABILITY OF HNH NUCLEASE IN DIVERGENT CAS9 SPECIES. Chinmai Pindi , Souvik Sinha, Helen Belato, Carmelissa Norbrun, Jinping Luo, Alexandra M. D’Ordine, Gerwald Jogl, George Lisi, Giulia Palermo 672-pos Board B493 COMPARISON OF CYCLIC AMP BINDING ACTIVITY WITHIN HCN CHANNEL SUBFAMILY USING ATOMISTIC MOLECULAR DYNAMICS SIMULATIONS OF ISOLATED CYCLIC NUCLEOTIDE BINDING DOMAINS. Matthew Brownd , Mahmoud Moradi 673-pos Board B494 THE RIGIDIZATION OF WATER DYNAMICS AROUND PROTEINS: A MO LECULAR DYNAMICS STUDY. Shiv S. Seshan 674-pos Board B495 SIMULATED MECHANICAL TESTING OF AMYLOID FIBRIL STRUCTURES USING MOLECULAR DYNAMICS SIMULATIONS WITH ENHANCED SAM PLING. Adam R. Ingwerson , Gianmarc Grazioli 675-pos Board B496 INVESTIGATING ALLOSTERY IN THE LC8 HUB PROTEIN VIA MOLECULAR DYNAMICS SIMULATIONS. Shelby D. Santos , Elisar J. Barbar, Daniel M. Zuckerman 676-pos Board B497 FROM SINGLE PROTEINS TO EFFICIENT SIMULATION MODELS OF THE CYTOPLASM. Matthias Heyden M. Philip 663-pos

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