Biophysical Society 2020 Annual Meeting

666-Pos Board B497 DNA-ORIGAMI-ASSISTED FLOW-ALIGNED SINGLE-PARTICLE DIFFRAC- TIVE IMAGING USING XFEL PULSES. P Lourdu Xavier , Oleksandr Yefanov, Kartik Ayyer, Ruojie Sha, Juraj Knoška, Carolin Seuring, Sébastien Boutet, Mengning Liang, David A. Bushnell, Roger Kornberg, Anton Barty, Saša Bajt, Rick P. Millane, Nadrian C. Seeman, Henry N. Chapman 667-Pos Board B498 USER CAPABILITIES AT THE GM/CA@APS STRUCTURAL BIOLOGY FACIL- ITY AT THE ADVANCED PHOTON SOURCE. Nagarajan Venugopalan , Michael Becker, Stephen Corcoran, Dale Ferguson, Mark Hilgart, David J. Kissick, Oleg Makarov, Craig M. Ogata, Ruslan Sanishvili, Sergey Stepa- nov, Qingping Xu, Shenglan Xu, Robert F. Fischetti, Janet L. Smith 668-Pos Board B499 HIGH THROUGHPUT SCATTERING BEAMLINE FOR LIFE SCIENCES AT NSLS-II. Shirish N. Chodankar , Lin Yang, James Byrnes 669-Pos Board B500 RECENT DEVELOPMENTS AT THE BEAMLINE FOR BIOLOGICAL SMALL ANGLE X-RAY SCATTERING BL4-2 AT SSRL.  Ivan Rajkovic , Tsutomu Mat- sui, Ping Liu, Thomas M. Weiss 670-Pos Board B501 A VERSATILE LAMBDA-DYNAMICS MODULE FOR GROMACS.  R. Thomas Ullmann , Helmut Grubmueller 671-Pos Board B502 THE ROLE OF RAPID PROTEIN DYNAMICS IN ARTIFICIAL ENZYME DE- SIGN.  Joseph Schafer , Ioanna Zoi, Dimitri Antoniou, Steven D. Schwartz 672-Pos Board B503 LOOS: A SUITE OF TOOLS TO ANALYZE MOLECULAR DYNAMICS SIMULA- TIONS. Alan Grossfield , Tod D. Romo 673-Pos Board B504 IMPROVED ESTIMATES OF FOLDING STABILITIES AND KINETICS FROM MULTIENSEMBLE MARKOV MODELS. Si Zhang , Vincent Voelz 674-Pos Board B505 A SCALING RELATION BETWEEN ACCESSIBLE PHASE SPACE VOLUME AND ESCAPE RATES FOR RANDOMWALKS IN HIGH-DIMENSIONAL HIERARCHICAL ENERGY LANDSCAPES - IMPLICATIONS FOR PROTEIN DYNAMICS. Andreas Volkhardt , Helmut Grubmueller 675-Pos Board B506 TEMPERATURE DRIVEN SHAPE TRANSFORMATION OF NANODISCS BY COARSE-GRAINED MOLECULAR DYNAMICS SIMULATIONS.  Warin Rangubpit , Ras Pandey, Pornthep Sompornpisut 676-Pos Board B507 ENHANCED SAMPLING OF PEPTIDE BINDING TO PROTEINS THROUGH GAUSSIAN ACCELERATED MOLECULAR DYNAMICS SIMULATIONS.  Jinan Wang , Andrey Alekseenko, Dima Kozakov, Yinglong Miao 677-Pos Board B508 BICEPS 2.0: NEW TOOLS FOR BAYESIAN INFERENCE OF CONFORMA- TIONAL POPULATIONS FROM THEORY AND EXPERIMENT. Yunhui Ge , Robert M. Raddi, Vincent A. Voelz 678-Pos Board B509 PROBING THE ACCURACY OF EXPLICIT SOLVENT CONSTANT PH MO- LECULAR DYNAMICS SIMULATIONS FOR PEPTIDES. Plamen N. Dobrev , Sahithya Vemulapalli, Nilamoni Nath, Christian Griesinger, Helmut Grubmueller Molecular Dynamics I (Boards B501 - B531)

679-Pos Board B510 EFFICIENT ESTIMATION OF BINDING KINETICS USING SCALED NON- BONDED INTERACTIONS AND HARMONIC RESTRAINTS. Yunhui Ge , Vincent A. Voelz 680-Pos Board B511 HYBRID KINETIC MONTE CARLO / MOLECULAR DYNAMICS SIMULA- TIONS OF BOND SCISSIONS IN PROTEINS. Benedikt Rennekamp , Fabian Kutzki, Agnieszka Obarska-Kosinska, Christopher Zapp, Frauke Gräter 681-Pos Board B512 NANOPORE CONFINED SPACE TOWARD PRECISION ASYMMETRIC SYNTHESIS OF SINGLE MOLECULES. Bo Yuan, Yuanjie Li, Hongyan Niu, Xueyuan Wu, Yilun Ying, Yi-Tao Long 682-Pos Board B513 COMPUTING SPATIALLY RESOLVED ROTATIONAL HYDRATION-SHELL ENTROPIES FROMMD SIMULATIONS USING AN ORIENTATIONAL K- NEAREST-NEIGHBOR DENSITY ESTIMATOR. Leonard P. Heinz , Helmut Grubmueller 683-Pos Board B514 NANOWAVEGUIDE-ILLUMINATED FLUORESCENCE CORRELATION SPEC- TROSCOPY FOR STUDYING MOLECULAR DYNAMICS ON CELL MEM- BRANES.  Joseph M. Chandler , Patrick DeLear, Brian Le, Chelsea Howard, Arstanbek Tulekeyev, Oskar Garcia, Huizhong Xu 684-Pos Board B515 DETERMINING PROTEIN STRUCTURES USING ACCELERATED MD SIMULATIONS AND NOISY DATA. Roy Nassar , Alberto Perez, James C. Robertson, Cong Liu, Emiliano Brini, Ken A. Dill 685-Pos Board B516 IMPROVED FLOODING MOLECULAR DYNAMICS ANALYSIS.  Leonardo Cirqueira , Leticia Stock, Werner Treptow 686-Pos Board B517 DATA-DRIVEN DEVELOPMENT OF LIPID FORCE FIELDS FOR MOLECULAR DYNAMICS SIMULATIONS. Hanne S. Antila , Markus S. Miettinen 687-Pos Board B518 TESTING AND IMPROVING ALCHEMICAL METHODS FOR PROTEIN-PRO- TEIN BINDING AFFINITY CALCULATION. Dharmeshkumar J Patel , Jagdish Suresh Patel, F. Marty Ytreberg 688-Pos Board B519 PROBING THE CONFORMATIONAL CHANGE OF CONTRACTILE TAILS US- ING COARSE-GRAINED NORMAL MODE ANALYSIS. Moises E. Romero , Ioan Andricioaei 689-Pos Board B520 EXPLICIT IONS FOR COARSE-GRAINED SIMULATIONS OF INTRINSI- CALLY DISORDERED PROTEINS VIA HYDROPHOBICITY/HYDROPHILICITY SCALES. Thomas P. Dannenhoffer-Lafage , Robert B. Best 690-Pos Board B521 ACCURATE DETERMINATION OF MEMBRANE PENETRATION OF PRO- TEINS USING FLUORESCENCE QUENCHING AND MOLECULAR DYNAM- ICS SIMULATIONS. Oleksandr V. Kyrychenko , Alexey S. Ladokhin 691-Pos Board B522 NOVEL SIMULATION METHODS FOR ELECTRIC FIELD-INDUCED DYNAM- ICS OF PROTEIN CRYSTALS.  Justin S. Kim , Lauren McGough, Eugene Klyshko, Rama Ranganathan, Sarah Rauscher 692-Pos Board B523 USING DIHEDRAL STABILITIES TO CHARACTERIZE PROTEIN FOLDING TRANSITIONS. David Wang , Piotr E. Marszalek 693-Pos Board B524 AUTOMATIC PARTITION OF PROTEIN MOLECULAR DYNAMICS US- ING COUPLED HIDDEN MARKOV-ISING MODELS. Ka Chun Ho , Donald Hamelberg

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