Thursday, November 16, 2006: 12:30 PM-3:00 PM
Union Square 17 & 18 (Hilton San Francisco)
#540 - Computational Biology: Proteins and DNA (21014)
This session is devoted to new developments in the theoretical and computational studies of biological systems. Such systems include protein/DNA interactions, protein/protein interactions, genetic networks, metabolic pathways, signal transduction pathways and inter- or intra-cellular transport of biomolecules. Presentations will focus on theoretical and computational techniques to predict, engineer or analyze the kinetic and thermodynamic properties of these systems. Emphasis will be placed on techniques that enable engineering by connecting molecular-level to macroscopic system-level properties. Additional favored topics include: new biological insights from studies of systems and industrial applications of computationally-driven biological systems engineering. Validation through comparison with experimental results is strongly encouraged.
Chair:Louis A. Clark
Cochairs:Vassily Hatzimanikatis
M. Scott Shell
12:30 PMRole of Histone Tails and Linker Histone in Chromatin Folding
Gaurav Arya, Tamar Schlick
12:48 PMMD(T, F) and Experimental Studies on the Thermomechanical Stability of Three-Helix Bundle Repeats
Vanessa Ortiz, Colin Johnson, Michael L. Klein, Dennis E. Discher
1:06 PMMolecular Dynamics Simulations to Guide the Design of Peptide Antibiotics
Himanshu Khandelia, Yiannis N. Kaznessis
1:24 PMInsights into a Model Peptide System - a Polarizable Force Field Molecular Simulation Study
Di Wu, Teresa Head-Gordon
1:42 PMPhysics-Based Protein Structure Prediction by Zipping and Assembly
M. Scott Shell, J. D. Chodera, S. B. Ozkan, V. A. Voelz, A. G. Wu, Ken A. Dill
2:00 PMAn Improved Coarse Grain Model of DNA and Applications
Thomas A. Knotts IV, Aslin Izmitli, Juan J. De Pablo
2:18 PMModulating the DNA Affinity of Elk-1 with Computationally Selected Mutations
Sheldon Park, Eric T. Boder, Jeffery G. Saven
2:36 PMMolecular Dynamics of DNA Translocation through Nanoelectrode Gaps
Xiongce Zhao, Christina M. Payne, Peter T. Cummings, James W. Lee

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