Biophysical Society 63rd Annual Meeting | Program Guide

698-Pos Board B473 DETERMINING FREE ENERGY DIFFERENCES THROUGH NON-LINEAR MOR- PHING. Martin Reinhardt , Helmut Grubmueller 699-Pos Board B474 EXPLORING OPTIMAL RESOURCE ALLOCATION FOR WEIGHTED ENSEM- BLE RESAMPLING OF RARE EVENTS.  Jeremy T. Copperman , David Aristoff, Daniel M. Zuckerman 700-Pos Board B475 NEW TOOLS FOR CONFORMATIONAL AND BINDING FREE ENERGY SIMU- LATIONS. Giacomo Fiorin, Grace Brannigan, Jérôme Hénin 701-Pos Board B476 OPTIMIZED PARAMETERS FOR THE DRUDE POLARIZABLE FORCE FIELD FOR SMALL ORGANIC MOLECULES. Chetan Rupakheti , Alexander D. MacKerell, Benoit Roux 702-Pos Board B477 POLARIZABLE GENERAL FORCE FIELD FOR DRUG-LIKE MOLECULES: DRUDE GENERAL FORCE FIELD (DGENFF). Payal Chatterjee , Esther Heid, Christian Schröder, Alexander D. MacKerell 703-Pos Board B478 COMPARISON OF FUNCTIONAL GROUP AFFINITY PATTERNS FROM THE ADDITIVE VERSUS DRUDE POLARIZABLE FORCE FIELDS FROM THE SITE-IDENTIFICATION BY LIGAND COMPETITIVE SATURATION (SILCS) APPROACH. Himanshu Goel , Delin Sun Sun, Wenbo Yu, Alexander D. MacKerell 704-Pos Board B479 GROMAPS: A GROMACS-BASED TOOLSET TO ANALYSE DENSITY MAPS DERIVED FROMMOLECULAR DYNAMICS SIMULATIONS. Rodolfo Briones, Christian Blau, Carsten Kutzner, Bert L. de Groot, Camilo Aponte-Santamaría 705-Pos Board B480 TRAVEL AWARDEE EXPLORING HYDROGEN BOND GEOMETRY IN RNA WITH F-SAPT. Louis G. Smith , Chapin E. Cavender, Alan Grossfield, David H. Mathews 706-Pos Board B481 MARKOV MODELING OF PROTEIN DIFFUSION ON TELOMERIC DNA.  Milosz Wieczor , Antoni Marciniak, Jacek Czub 707-Pos Board B482 CAPTURING THE COOPERATIVITY OF BACKBONE HYDROGEN BONDING WITH POLARIZABLE FORCE FIELDS.  Jing Huang 708-Pos Board B483 WATERFALL SAMPLING: AN ONLINE SEQUENTIAL MONTE CARLO STRAT- EGY FOR CONFORMATIONAL SAMPLING OF BIOMOLECULAR SYSTEMS.  Mir Ishruna Muniyat , Justin L. MacCallum 709-Pos Board B484 CHARTING THE HYDROPHOBIC EFFECT: COMPUTING SPATIALLY RE- SOLVED ABSOLUTE HYDRATION SHELL ENTROPIES. Leonard P. Heinz , Helmut Grubmueller 710-Pos Board B485 HAMILTONIAN REPLICA EXCHANGE FOR ENHANCED SAMPLING OF THE CONFORMATIONAL LANDSCAPE FOR INTRINSICALLY DISORDERED PRO- TEINS.  Justin SH Kim , Sarah Rauscher 711-Pos Board B486 PROTEIN-WATER AND SOLVENT-MEDIATED INTERACTIONS IN MULTI- SCALE SIMULATIONS. Matthias Heyden 712-Pos Board B487 CONNECTIVITY, DYNAMICS AND BIOMOLECULAR ENERGY TRANS- PORT.  Justin Elenewski , Kirill Velizhanin, Michael Zwolak

713-Pos TRAVEL AWARDEE USING COMMITTOR AND ITS DISTRIBUTION TO ASSESS THE CONVER- GENCE OF FREE ENERGY CALCULATIONS. Nihit Pokhrel , Lutz Maibaum 714-Pos Board B489 ENHANCED SAMPLING, KINETICS CALCULATION AND STRUCTURAL DATABASE ANALYSIS AIMING AT COMPUTATIONAL DRUG DESIGN. Kei Moritsugu , Tohru Terada, Yoshihiko Nishino, Akinori Kidera 715-Pos Board B490 WHEN ADDITIVE MOLECULAR DYNAMICS FAILS: QUANTUM EFFECTS IN CALCIUM-DEPENDENT LECTIN/CARBOHYDRATE COMPLEX.  Martin Lepsik , Mickael G. Lelimousin, Emanuele Paci, Anne Imberty 716-Pos Board B491 OVERCOMING THE EMBEDDABILITY PROBLEM: A MORE ROBUST CALCU- LATION OF KINETIC INFORMATION FROM SPARSELY SAMPLED MOLECU- LAR DYNAMICS SIMULATIONS. Curtis Goolsby , Mahmoud Moradi 717-Pos Board B492 HETEROGENEOUS SOLVATION IN DISTINCTIVE PROTEIN-PROTEIN INTER- FACES REVEALED BY MOLECULAR DYNAMICS SIMULATIONS.  Clarisse Gravina Ricci , James A. McCammon 718-Pos Board B493 COMPARING BINDING AFFINITY RESULTS FROM PYROSETTA AND COARSE- GRAINED SIMULATIONS. Kyle P. Martin , F. Marty Ytreberg 719-Pos Board B494 EXTENSION OF THE FORCE MATCHING METHOD TO ANISOTROPIC COARSE-GRAINED TRANSFERABLE FORCE FIELDS: APPLICATION TO THE UNRES MODEL OF PROTEINS.  Jozef A. Liwo , Cezary R. Czaplewski 720-Pos Board B495 COMPARISON OF FORCEFIELDS IN THE PREDICTION OF INTRINSIC RESI- DUE-SPECIFIC BACKBONE DIHEDRAL ANGLE DISTRIBUTIONS OF BLOCKED AMINO ACIDS.  Jared M. Lalmansingh , Jeong-Mo Choi, Rohit V. Pappu 721-Pos Board B496 DEVELOPMENT OF A NEW CALCIUM ION MODEL FOR SIMULATING BIO- MOLECULES. Aihua Zhang, Hua Yu, Chunhong Liu, Chen Song Biosensors I (Boards B497 - B517.1) 722-Pos Board B497 HOW TO MAKE EXCITABLE CELLS. Merrilee A. Thomas 723-Pos Board B498 ROLE OF ELECTRIC FIELD CHANGES IN FLUORESCENCE RESPONSE OF RED Board B488 A VOLTAGE DEPENDENT HETEROTRIMERIC FRET SIGNAL SUGGESTS MULTIMERIC ASSOCIATION FOR THE VOLTAGE SENSING DOMAIN OF THE VOLTAGE SENSING PHOSPHATASE. Lee Min Leong , Bok Eum Kang, Bradley J. Baker 725-Pos Board B500 SURFACE-ENHANCED RAMAN SPECTROSCOPY (SERS)-ACTIVE NANOPI- PETTE FOR SINGLE CELL INTRACELLULAR PH SENSING.  Jing Guo , jin He 726-Pos Board B501 LABEL-FREE ENZYME ACTIVITY MEASUREMENTS WITH QUANTUM-LIMIT- ED BIOSENSORS. Arvind Balijepalli , Son T. Le, Nicholas B. Guros, Antonio Cardone, Niranjana D. Amin, Jeffery B. Klauda, Harish C. Pant, Curt A. Richter FLUORESCENT GENETICALLY-ENCODED CA 2+ INDICATORS.  Rosana S. Molina , Thomas E. Hughes, Mikhail Drobizhev 724-Pos Board B499

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