Bulletin of the American Physical Society

2006 APS March Meeting

Monday–Friday, March 13–17, 2006; Baltimore, MD

Session Index

Session A26: Biomolecular Computation	Show Abstracts
Sponsoring Units: DBP Chair: Thomas Darden, National Institute of Health Room: Baltimore Convention Center 323

Monday, March 13, 2006 8:00AM - 8:12AM		A26.00001: Quantum Mechanical Study of C-Terminal Cleavage Reaction in Inteins Philip Shemella, Saroj Nayak, Brian Pereira, Shekhar Garde, Georges Belfort, Patrick Van Roey, Vicky Derbyshire, Marlene Belfort Preview Abstract
Monday, March 13, 2006 8:12AM - 8:24AM		A26.00002: Evolutionary Strategies for Protein Folding Srinivasa Murthy Gopal, Wolfgang Wenzel Preview Abstract
Monday, March 13, 2006 8:24AM - 8:36AM		A26.00003: Towards predictive molecular dynamics simulations of DNA: electrostatics and solution/crystal environments Volodymr Babin, Jason Baucom, Thomas Darden, Celeste Sagui Preview Abstract
Monday, March 13, 2006 8:36AM - 8:48AM		A26.00004: Coarse-grained model of chaperonin-mediated protein folding George Stan, D. Thirumalai, George Lorimer, Bernard Brooks Preview Abstract
Monday, March 13, 2006 8:48AM - 9:00AM		A26.00005: Using Molecular Dynamics simulations in the analysis of Electron Spin Resonance spectra Deniz Sezer, Benoit Roux Preview Abstract
Monday, March 13, 2006 9:00AM - 9:12AM		A26.00006: Locating structural energy minimum of biological molecules in explicit solvent Eric Dykeman, Otto Sankey Preview Abstract
Monday, March 13, 2006 9:12AM - 9:24AM		A26.00007: Predicting 3D structures of transient protein-protein complexes Petras Kundrotas, Emil Alexov Preview Abstract
Monday, March 13, 2006 9:24AM - 9:36AM		A26.00008: Charge transfers from Na atom in (H2O)n clusters and in water solution Takeshi Nozue, Junichi Hoshino, Kazuo Tsumuraya Preview Abstract
Monday, March 13, 2006 9:36AM - 9:48AM		A26.00009: Coarse-graining protein energetics in sequence variables Fei Zhou, Gevorg Grigoryan, Amy Keating, Gerbrand Ceder, Dane Morgan Preview Abstract
Monday, March 13, 2006 9:48AM - 10:00AM		A26.00010: MAME Water Model: hydrogen bonding, electrostatic, polarization and van der Waals interactions in water. Eugene Tsiper Preview Abstract
Monday, March 13, 2006 10:00AM - 10:12AM		A26.00011: Accurate computation and interpretation of spin-dependent properties in metalloproteins Jorge Rodriguez Preview Abstract
Monday, March 13, 2006 10:12AM - 10:24AM		A26.00012: Computational studies of a redox-driven proton pump: Cytochrome c oxidase and biological energy transduction Alexei A. Stuchebrukhov Preview Abstract
Monday, March 13, 2006 10:24AM - 10:36AM		A26.00013: Ab Initio QM/MM Study of the Ester-hydrolysis Reaction Mechanism in Haloalkane Dehalogenase Yiming Zhang, Yu Zhou, Saroj Nayak, Angel Garcia Preview Abstract
Monday, March 13, 2006 10:36AM - 10:48AM		A26.00014: Combining biophysical and bioinformatical approaches for predicting residue's contacts. Emil Alexov, Amber Allardice, Petras Kundrotas Preview Abstract

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Bulletin of the American Physical Society

2006 APS March Meeting

Monday–Friday, March 13–17, 2006; Baltimore, MD

Session Index

Session A26: Biomolecular Computation

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