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89
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
MacKerell
1612-Pos
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
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