Friday, November 17, 2006: 12:30 PM-3:00 PM
Union Square 17 & 18 (Hilton San Francisco)
#659 - Computational Biology: Membrane Phenomenology (21013)
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 PMMolecular Dynamics Simulations of Asymmetric Phospholipid Bilayers with Supra-Physiological Transmembrane Potentials
Matthew J. Ziegler, P. Thomas Vernier
12:48 PMInvestigating Membrane Heterogeneities with Fluorescence Energy Transfer
Kevin B. Towles, Nily Dan
1:06 PMThe Design of New Protegrin-like Antimicrobial Peptides: a Molecular Dynamics Study
Allison Langham, Yiannis N. Kaznessis
1:24 PMDisaccharide Binding in Lactose Permease of E. Coli: Sugar Structure Influences Binding
Jeffery B. Klauda, Bernard R. Brooks
1:42 PMComputational Insights into the Interaction of Non Steroidal Anti Inflammatory Drugs with Lipid Membranes
Mohan babu Boggara, Ramanan Krishnamoorti
2:00 PMBiomembrane Deformations: Molecular Modeling of Key Elastic Properties for Inhomogeneous Lipid Bilayers
Eric R. May, Dmitry I. Kopelevich, Atul Narang
2:18 PMStudying the Human Intestinal Mucin (Muc2) Using Molecular Modeling Approaches for Drug Transport Study
Vatsala D. Sadasivan, Stefano Gulla, David E. Budil, Albert Sacco Jr., Rebecca L. Carrier
2:36 PMRelative Binding Free Energy Calculations of Antimicrobial Peptides in Sds/Dpc Micelles Using Molecular Dynamics/Continuum Methods
Abdallah Sayyed-Ahmad, Yiannis N. Kaznessis

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