Biophysical Society 62nd Annual Meeting | Program Guide

3371-Pos Board B579 ATP AS A FUEL MOLECULE: EVOLUTIONARY SELECTION OF MAGNESIUM- ATP INTERACTION MODE FACILITATES LOSSLESS CHEMOMECHANICAL COUPLING FOR ATPASES. Floris P. Buelens , Hadas Leonov, Bert de Groot, Helmut Grubmüller 3372-Pos Board B580 COMPUTATIONAL TOOLSET FOR GLYCOCONJUGATE MODELING AND SIMULATION. Sang-Jun Park , Hui Sun Lee, Jumin Lee, Wonpil Im 3373-Pos Board B581 CELLPACKING: EXAMINING INFLUENZA VIRULENCE THROUGH SOFT- WARE-ENGINEERED PROTEIN PACKING. Christian Seitz , Ludovic Autin, Rommie amaro, J. AndrewMcCammon, Arthur J. Olson 3374-Pos Board B582 RECONCILING SIMULATED ENSEMBLES OF APOMYOGLOBIN WITH EX- PERIMENTAL HDX DATA. Hongbin Wan , Yunhui Ge, Asghar Razavi, Vincent Voelz 3375-Pos Board B583 IMPROVED SPECIFICITY PREDICTION OF SMALL MOLECULE MYOSIN INHIBITORS THROUGH ENSEMBLE-BASED MOLECULAR DOCKING. Dmitrij Malcev , Adrian Kishonti, Georgios Tsiavaliaris, Hans-Joachim Knölker, Matthias Preller 3376-Pos Board B584 INTEGRATIVE MOLECULAR MODELLING OF BIOMOLECULES GUIDED BY FRET EXPERIMENTS. Christian A. Hanke , Mykola Dimura, Thomas-Otavio Peulen, Holger Gohlke, Claus A.M. Seidel 3377-Pos Board B585 TOWARDS REAL-TIME HOLOGRAPHIC THREE-DIMENSIONAL IMAGING WITH MACHINE LEARNING. Lindsey Peng , Anaya Srivastava, Christopher M. Yip Single-Molecule Spectroscopy II (Boards B586–B604) 3378-Pos Board B586 EFFICIENT AND FAST PURIFICATION METHOD FOR FLUORESCENT DYE- LABELED OLIGONUCLEOTIDES. So Young Bak , Jihee Hwang, Sohyeon Bae, Soonkyu Lim, Younggyu Kim, Seong Keun Kim 3379-Pos Board B587 NO MORE “WIGGLES”: DECOHERENT ACOUSTO OPTIC-BASED HIGH- RESOLUTION TWEEZERS COMBINED WITH MULTI-COLOR FLUORES- CENCE. Cho-Ying Chuang, Andrew Baker, Miles Whitmore, Matthew Board B588 PROBING P53 ACTIVATION BY LIVE-CELL SINGLE-MOLECULE CHROMATIN BINDING MEASUREMENTS. Alessia Loffreda , Emanuela Jacchetti, Sofia Antunes, Paolo Rainone, Tiziana Daniele, Tatsuya Morisaki, Marco E. Bian- chi, Carlo Tacchetti, Davide Mazza 3381-Pos Board B589 DIRECT OBSERVATION OF OLIGOMERIC PROTEIN (DIS)ASSEMBLY AND DRUG-INDUCED CROSS-LINKING AT THE SINGLE MOLECULE LEVEL WITH INTERFEROMETRIC SCATTERING MASS SPECTROMETRY (ISCAMS). Gavin Young , Nikolas Hundt, Anna Olerinyova, Ayla Ansari, Daniel Cole, Philipp Kukura 3382-Pos Board B590 INTERFEROMETRIC SCATTERING MASS SPECTROMETRY (ISCAMS): SINGLE MOLECULE MASS IMAGING IN SOLUTION. Daniel Cole , Gavin Young, Nikolas Hundt, Philipp Kukura Comstock 3380-Pos

3357-Pos Board B565 CALCULATION OF ABSOLUTE SOLVATION SHELL ENTROPIES FROMMD TRAJECTORIES VIA PERMUTATION REDUCTION. Leonard P. Heinz , Helmut Grubmüller 3358-Pos Board B566 UPSIDE: A NEW DYNAMICS METHODS CAPABLE OF COOPERATIVE DE NOVO PROTEIN FOLDING IN CPU-HOURS. John M. Jumper, Karl F. Freed, Tobin R. Sosnick Computational Methods and Bioinformatics II (Boards B567–B585) 3359-Pos Board B567 AN ATOMIC FOUR-BODY STATISTICAL POTENTIAL TO DISTINGUISH NATIVE RNA STRUCTURES FROM NONNATIVE FOLDS. Majid Masso 3360-Pos Board B568 RNA SECONDARY STRUCTURE PREDICTION GUIDED BY CHEMICAL SHIFTS. Kexin Zhang , Aaron Frank 3361-Pos Board B569 MULTIPLE CRYPTIC BINDING SITES ARE NECESSARY FOR ROBUST FIBRO- NECTIN ASSEMBLY. Christopher A. Lemmon, Seth H. Weinberg 3362-Pos Board B570 MOLECULAR DYNAMICS SIMULATION OF THE CONFORMATIONAL CHANGES IN THE PROCASPASE 9 ACTIVATION. Humberto Gasperin , Claudia G Benítez-Cardoza, Jorge L Rosas-Trigueros, Absalom Zamorano- Carrillo 3363-Pos Board B571 QUANTIFICATION OF SARCOMERIC DISCONTINUITIES IN MOUSE EAR MUSCLE USING DEEP LEARNING. Brad Busse , John Heuser, Glen Hum- phrey, Joshua Zimmerberg 3364-Pos Board B572 MULTI-CELLULAR MODELLING OF CELLULAR MECHANISMS GIVES INSIGHTS ON THE MAINTENANCE OF EPIDERMAL TISSUE STRUC- TURE. Claire Miller , James Osborne, Edmund Crampin 3365-Pos Board B573 DETERMINING RECEPTOR INTERACTION KINETICS THROUGH SINGLE MOLECULE IMAGING AND COMPUTATIONAL MODELING. Luciana R. de Oliveira , Robel Yirdaw, Khuloud Jaqaman 3366-Pos Board B574 THE SIMSHAPE METHOD FOR PROTEIN-DETERGENT INTERACTION RE- SEARCH. Yuhang Wang , Emad Tajkhorshid 3367-Pos Board B575 PREDICTING DRUG DELIVERY EFFICIENCY INTO TUMOR TISSUES THROUGH MOLECULAR SIMULATION OF TRANSPORT IN COMPLEX VASCULAR NETWORKS. Evan P. Troendle , Ayesha Khan, Peter C. Searson, Martin B. Ulmschneider 3368-Pos Board B576 SPATIOTEMPORAL MODEL FOR PATTERN FORMATION IN PHAGE-BACTE- RIA SYSTEM. Xiaochu Li, Floricel Gonzalez, Birgit Scharf, Jing Chen 3369-Pos Board B577 PROTONATION STATE DETERMINES BINDING SITES OF SODIUM CHANNEL INHIBITORS. Amanda Buyan , Delin Sun, Ben Corry 3370-Pos Board B578 COMPUTATIONAL STUDY OF BUTYRYLCHOLINESTERASE INHIBITION BY ARYL ALKYL CHOLINYL PHOSPHORUS DERIVATIVES. Nicholas Humphrey , Mariel Sanchez, Christine Chung, Eric Sorin

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