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