Session: Molecular Modeling of Biophysical Processes I (2009 Annual Meeting)

Description:

Papers are invited that present computational approaches to investigate biological systems at high atomistic and molecular resolution. With the advent of high-performance computing systems there is an increasing capacity to make modeling efforts directly comparable to experimentally observed biological properties and behaviors. In this session, emphasis will be placed in new methodological developments as well as demonstrations of how simulations can be used to gain useful biological insight.

Sponsor:

Bioengineering

Co-Sponsor(s):

Computational Molecular Science and Engineering Forum (21)

Chair:

Yiannis Kaznessis
University of Minnesota
Chemical Engineering and Materials Science
151 Amundson Hall
Minneapolis, MN 55455
Phone Number: 612 624-4197
Email: yiannis@cems.umn.edu

Co-Chair:

Elaine R. Chan

Papers:

102a

Maturation Mechanism of Microcin J25: Free Energy Analysis and Low-Dimensional Kinetics From Replica Exchange Molecular Dynamics Simulations
Andrew L. Ferguson, Princeton University; Pablo G. Debenedetti, Princeton University; Athanassios Z. Panagiotopoulos, Princeton University

102b

Coupling Between Protein and Solvent Dynamics in Crowded and Non-Aqueous Environments
Jhih-Wei Chu, University of California, Berkeley

102c

Modeling and Measurements of Weak Transient Protein-Protein Interactions
Hamsa Priya Mohana Sundaram, The Ohio State University; Shikha Gandhi, The Ohio State University; Amy Zuo, The Ohio State University; Michael Paulaitis, The Ohio State University

102d

Interactions of Ca²⁺ with Phospholipids: Insights Into Mechanisms of Membrane Fusion
Zeena K. Issa, Wayne State University; Charles W. Manke, Wayne State University; Bhanu P. Jena, Wayne State University; Jeffrey J. Potoff, Wayne State University

Break

102e

Atomistic Simulations of the Action of Trehalose On Dehydrated Membranes the Water Replacement Hypothesis Revisited
Elena A. Golovina, Wageningen University; Andrey V. Golovin, Moscow State University; Roland Faller, UC Davis

102f

Molecular Dynamics Studies of Polyethylene Oxide and Polyethylene Glycol Using All-Atom and Coarse-Grained Models : Conformation, Hydrodynamics, and Biophysical Applications
Hwankyu Lee, National Heard, Lung and Blood Institute, National Institutes of Health; Richard W. Pastor, National Heart, Lung, and Blood Institute

102g

Structural Changes and Quantification of Ligand Binding Affinity in Membrane Transport Proteins
Pushkar Y. Pendse, University of Maryland, College Park; Jeffery Klauda, University of Maryland

See more of this Group/Topical: Food, Pharmaceutical & Bioengineering Division

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