Session: Model Development for Biomolecular Systems (2012 Annual Meeting)

Description:

Papers on the development of atomistic and coarse-grained models for the study of biological systems.

Sponsor:

Thermodynamics and Transport Properties

Chair:

Mark J. Uline
Asst Prof
U. South Carolina
Chemical Engineering
Columbia, SC 29208
Email: uline@mailbox.sc.edu

Co-Chair:

Jeffery Klauda
University of Maryland
Department of Chemical and Biomolecular Engineering
College Park, MD 20742-2111
Email: jbklauda@umd.edu

Papers:

151a

A Hybrid Fluctuating Hydrodynamics and Molecular Dynamics Approach for Simulation of Biomolecular Systems
Jhih-Wei Chu, University of California, Berkeley; Nikolaos Voulgarakis, University of California Berkeley

151b

A New Multiscale Algorithm and Its Application to Coarse-Grained Peptide Models for Self-Assembly
Scott Carmichael, University of California Santa Barbara; M. Scott Shell, University of California Santa Barbara; Rafael Modestino Prato, University of California, Santa Barbara

151c

A Novel, Coarse-Grain Model for Chemically-Specific, Protein-Surface Interactions: Validation and Application
Shuai Wei, Brigham Young University; Brandon Loong, Brigham Young University; Thomas A. Knotts IV, Brigham Young University

151d

Stability of Heterochromatin Condensation Due to Cooperative Binding
Peter J. Mulligan, Stanford University; Elena F. Koslover, Stanford University; Andrew J. Spakowitz, Stanford University

151e

Investigation of the Proton Translocation Mechanism in Lactose Permease of E. Coli by a Hybrid QM/MM Approach
Pushkar Y. Pendse, University of Maryland, College Park; Jeffery Klauda, University of Maryland

151f

A Next-Generation Coarse Grain DNA Model for Engineering and Biology
Daniel M. Hinckley, University of Wisconsin-Madison; Gordon S. Freeman, University of Wisconsin-Madison; Juan J. de Pablo, University of Wisconsin-Madison

151g

Computational Studies On the Effects of DNA Methylation On Its Structure and Dynamics
Shyno Mathew, Columbia University; Vanessa Ortiz, Columbia University

151h

A Molecular Model for the Thermodynamic Stability of Hepatitis B Virus
Jehoon Kim, University of California, Riverside; Roya Zandi, University of California, Riverside; Jianzhong Wu, UC Riverside

151i

DNA Base Dimers Are Stabilized by Hydrogen Bonding Interactions Including Non-Watson-Crick Pairing near Graphite Surfaces
Akshaya Shankar, Lehigh University; Anand Jagota, Lehigh University; Jeetain Mittal, Lehigh University

151j

Simulations of Microtubule Forces Derived From Cytoskeletal-Bound Motors
Anthony J.C. Ladd, University of Florida; Gaurav Misra, Stanford University; Jun Wu, University of Florida; Robert J. Russell, University of Florida; Nandini Shekhar, University of Florida; Tanmay Lele, University of Florida; Richard Dickinson, University of Florida

See more of this Group/Topical: Engineering Sciences and Fundamentals

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