Computational Molecular Science and Engineering Forum | |||
| Session 540 - Computational Biology: Proteins and DNA | |||
| 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 | ||
| CoSponsor(s): | Engineering Fundamentals in Life Science | ||
| 540a | Role of Histone Tails and Linker Histone in Chromatin Folding Gaurav Arya, Tamar Schlick | ||
| 540b | MD(T, F) and Experimental Studies on the Thermomechanical Stability of Three-Helix Bundle Repeats Vanessa Ortiz, Colin Johnson, Michael L. Klein, Dennis E. Discher | ||
| 540c | Molecular Dynamics Simulations to Guide the Design of Peptide Antibiotics Himanshu Khandelia, Yiannis N. Kaznessis | ||
| 540d | Insights into a Model Peptide System - a Polarizable Force Field Molecular Simulation Study Di Wu, Teresa Head-Gordon | ||
| 540e | Physics-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 | ||
| 540f | An Improved Coarse Grain Model of DNA and Applications Thomas A. Knotts IV, Aslin Izmitli, Juan J. De Pablo | ||
| 540g | Modulating the DNA Affinity of Elk-1 with Computationally Selected Mutations Sheldon Park, Eric T. Boder, Jeffery G. Saven | ||
| 540h | Molecular Dynamics of DNA Translocation through Nanoelectrode Gaps Xiongce Zhao, Christina M. Payne, Peter T. Cummings, James W. Lee | ||
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