151 Model Development for Biomolecular Systems

Monday, October 29, 2012: 3:15 PM
411 (Convention Center )
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
Email: uline@mailbox.sc.edu

Co-Chair:
Jeffery Klauda
Email: jbklauda@umd.edu


3:15 PM
(151a) A Hybrid Fluctuating Hydrodynamics and Molecular Dynamics Approach for Simulation of Biomolecular Systems
Jhih-Wei Chu and Nikolaos Voulgarakis

3:39 PM
(151b) A New Multiscale Algorithm and Its Application to Coarse-Grained Peptide Models for Self-Assembly
Scott Carmichael, M. Scott Shell and Rafael Modestino Prato

3:53 PM
(151c) A Novel, Coarse-Grain Model for Chemically-Specific, Protein-Surface Interactions: Validation and Application
Shuai Wei, Brandon Loong and Thomas A. Knotts IV

4:07 PM
(151d) Stability of Heterochromatin Condensation Due to Cooperative Binding
Peter J. Mulligan, Elena F. Koslover and Andrew J. Spakowitz

4:21 PM
(151e) Investigation of the Proton Translocation Mechanism in Lactose Permease of E. Coli by a Hybrid QM/MM Approach
Pushkar Y. Pendse and Jeffery Klauda

4:35 PM
(151f) A Next-Generation Coarse Grain DNA Model for Engineering and Biology
Daniel M. Hinckley, Gordon S. Freeman and Juan J. de Pablo

4:49 PM
(151g) Computational Studies On the Effects of DNA Methylation On Its Structure and Dynamics
Shyno Mathew and Vanessa Ortiz

5:03 PM
(151h) A Molecular Model for the Thermodynamic Stability of Hepatitis B Virus
Jehoon Kim, Roya Zandi and Jianzhong Wu

5:17 PM
(151i) DNA Base Dimers Are Stabilized by Hydrogen Bonding Interactions Including Non-Watson-Crick Pairing near Graphite Surfaces
Akshaya Shankar, Anand Jagota and Jeetain Mittal

5:31 PM
(151j) Simulations of Microtubule Forces Derived From Cytoskeletal-Bound Motors
Anthony J.C. Ladd, Gaurav Misra, Jun Wu, Robert J. Russell, Nandini Shekhar, Tanmay Lele and Richard Dickinson
See more of this Group/Topical: Engineering Sciences and Fundamentals
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