Biophysical Society 60th Annual Meeting

1599-Pos Board B576 CONFORMATIONAL CHANGES IN ANTIGEN-ANTIBODY BINDING:MOLECULAR DYNAMICS STUDY. Keiko Shinoda , Hideaki Fujitani 1600-Pos Board B577 NON-EQUILIBRIUMMOLECULAR DYNAMICS TO SIMULATE SHEAR STRESS ON ANGIOTENSIN II TYPE 1 (AT1) RECEPTOR. Matheus Malta de Sa , Silvestre Massimo Modestia, Carlota Oliveira Rangel-Yagui, José Eduardo Krieger 1601-Pos Board B578 COMPUTATIONAL STUDY ON FLEXIBLE DYNAMICS OF HISTONE TAILS. Sotaro Fuchigami 1602-Pos Board B579 VISUALIZING THE DYNAMICS OF NEURONAL SIGNALING. Katrine K. Skeby , Gaël McGill 1603-Pos Board B580 A SIMPLE METHOD FOR PREDICTING CANCER SPECIFIC CELL SURFACE EPITOPES. Xubiao Peng , Will C. Guest, Neil R. Cashman, Steven S. Plotkin 1604-Pos Board B581 DIPOLE MOMENT AND BINDING ENERGY OF WATER IN PROTEINS FROM CRYSTALLOGRAPHY ANALYSIS. Aleksandr Morozenko 1605-Pos Board B582 CARBON NANOPARTICLES AND THEIR DIFFERENTIAL ASSOCIATION WITH THE MEMBRANES OF E. COLI: A COARSE-GRAINED MOLECULAR DYNAM- ICS SIMULATION STUDY. Pin-Chia Hsu , Damien Jefferies, Benjamin A. Hall, Syma Khalid 1606-Pos Board B583 GRAPHENE NANOPORES FOR PROTEIN SEQUENCING.  James Wilson , Leila Sloman, Zhiren He, Aleksei Aksimentiev Computational Methods and Bioinformatics I (Boards B584 - B610) 1607-Pos Board B584 ESTIMATION OF ENTROPY CHANGES DUE TO CONFORMATIONAL CHANG- ES IN MOLECULAR BINDING. Yuly E. Sanchez , Julian A. Aguilar 1608-Pos Board B585 RIGID DOCKING BASED PROTEIN-PROTEIN INTERACTION PREDICTION US- ING HIGH SCORING DOCKING MODELS. Yuri Matsuzaki , Jaak Simm 1609-Pos Board B586 MEGADOCK 4.0. AN ULTRA-HIGH-PERFORMANCE PROTEIN-PROTEIN DOCKING SOFTWARE FOR HETEROGENEOUS SUPERCOMPUTERS.  Masahito Ohue , Yuri Matsuzaki, Nobuyuki Uchikoga, Takashi Ishida, Yutaka Akiyama 1610-Pos Board B587 ANALYSIS OF PHYSICO-CHEMICAL PROPERTIES OF PROTEIN DOCKING DECOYS GENERATED BY RIGID-BODY DOCKING. Nobuyuki Uchikoga , Yuri Matsuzaki, Masahito Ohue, Yutaka Akiyama 1611-Pos Board B588 DRUDE POLARIZABLE FORCE FIELD FOR MODELING DIVALENT CATIONS IN BIOLOGICAL SYSTEMS. Hui Li , Abhi Singharoy, Benoit Roux, Alexander Board B589 CALCIUM PARAMETERS IN CHARMM FORCE FIELD REVISITED. Mohsen Pourmousa , Richard M. Venable, Richard W. Pastor 1613-Pos Board B590 CHARMM-GUI MOLECULAR DYNAMICS SIMULATIONS OF THE NEO-LAC- TO SERIES IN A POPC BILAYER. Venkata Malladi , Wonpil Im MacKerell 1612-Pos

1614-Pos Board B591 CHARMMMOLECULAR DYNAMICS OF THE BLOOD GROUP GLYCOLIPIDS IN POPC LIPID BILAYER.  Jaeki Shin , Wonpil Im 1615-Pos Board B592 CHARMM-GUI 10 YEARS FOR BIOMOLECULAR MODELING AND SIMULA- TION. Wonpil Im 1616-Pos Board B593 THE BROMOCEA CODE: AN IMPROVED GRAND CANONICAL MONTE CARLO/BROWNIAN DYNAMICS ALGORITHM INCLUDING EXPLICIT AT- OMS. Carlos J. Fernandez Solano 1617-Pos Board B594 ACCURATE ATOM-BY-ATOM PREDICTIONS OF SOLVATION ELECTROSTAT- ICS USING A HYDRATION-SHELL POISSON-BOLTZMANN MODEL.  Jaydeep P. Bardhan , Matthew G. Knepley 1618-Pos Board B595 AN ACCURATE AND EFFICIENT, COMPUTATIONAL METHOD FOR THE HYDRATION FREE ENERGY OF LARGE AND COMPLEX MOLECULES. Takashi Yoshidome, Toru Ekimoto , Nobuyuki Matubayasi, Yuichi Harano, Masahiro Kinoshita, Mitsunori Ikeguchi 1619-Pos Board B596 THE INTERNAL FRICTION AND ANOMALOUS CONFORMATIONAL DIFFU- SION OF PROTEINS. Robert Deak , Imre Derenyi 1620-Pos Board B597 UNIVERSAL SCALING OF CAVITY VOLUME PATHWAYS IN GLOBULAR PRO- TEINS. Sheridan B. Green, Jenny Farmer , Donald J. Jacobs 1621-Pos Board B598 A RIGOROUS APPROACH TO DERIVE ANALYTICAL EXPRESSIONS IN COARSE-GRAINED FORCE FIELDS. Adam K. Sieradzan, Agnieszka G. Lipska, Robert Ganzynkowicz, Michał Głuski, Jozef A. Liwo 1622-Pos Board B599 FLUCTUATING FINITE ELEMENT ANALYSIS: DEVELOPMENT AND APPLICA- TIONS TO CYTOPLASMIC DYNEIN. Ben Hanson , Sarah Harris, Daniel Read, Oliver Harlen 1623-Pos Board B600 RNA CONFORMATIONAL FLUCTUATIONS FROM ELASTIC NETWORK MODELS: A COMPARISON WITH MOLECULAR DYNAMICS AND SHAPE EXPERIMENTS. Giovanni Pinamonti , Sandro Bottaro, Cristian Micheletti, Giovanni Bussi 1624-Pos Board B601 PREDICTING A DRUG’S MEMBRANE PERMEABILITY: EVOLUTION OF A COMPUTATIONAL MODEL VALIDATED WITH IN VITRO PERMEABILITY ASSAY DATA. Timothy S. Carpenter , M. Windy McNerney, Nicholas A. Be, Victoria Lao, Emma M. Carlson, Brian J. Bennion, Felice C. Lightstone, Carlos A. Valdez 1625-Pos Board B602 TRAVELLING WAVE SOLUTIONS FOR A REACTION-DIFFUSION MODELS OF CELL GROWTH. Brian W. Williams 1626-Pos Board B603 QUANTITATIVE ANALYSIS OF CORTICAL ACTIN-MEMBRANE MICROCLU- STER INTERACTIONS. Anthony R. Vega , Jonathon A. Ditlev, Michael K. Rosen, Khuloud Jaqaman 1627-Pos Board B604 THREE-DIMENSIONAL MONOLAYER STRESS MICROSCOPY. Ricardo Serrano , Aereas Aung, Shyni Varghese, Juan C. del Álamo 1628-Pos Board B605 IMPLICATIONS OF KIR/NAV1.5 RECIPROCITY FOR PROPAGATING ACTION POTENTIALS IN CARDIAC CELLS. Anthony Varghese

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