2012 AIChE Annual Meeting

Session: Model Development for Biomolecular Systems

Co-Chair

Jeffery Klauda, University of Maryland

Presentations

03:15 PM

(151a) A Hybrid Fluctuating Hydrodynamics and Molecular Dynamics Approach for Simulation of Biomolecular Systems

03:39 PM

(151b) A New Multiscale Algorithm and Its Application to Coarse-Grained Peptide Models for Self-Assembly
Rafael Modestino Prato

03:53 PM

(151c) A Novel, Coarse-Grain Model for Chemically-Specific, Protein-Surface Interactions: Validation and Application
Shuai Wei

04:07 PM

(151d) Stability of Heterochromatin Condensation Due to Cooperative Binding
Andrew J. Spakowitz

04:21 PM

(151e) Investigation of the Proton Translocation Mechanism in Lactose Permease of E. Coli by a Hybrid QM/MM Approach
Pushkar Y. Pendse

04:35 PM

(151f) A Next-Generation Coarse Grain DNA Model for Engineering and Biology
Juan J. de Pablo, Gordon S. Freeman

04:49 PM

(151g) Computational Studies On the Effects of DNA Methylation On Its Structure and Dynamics

05:03 PM

(151h) A Molecular Model for the Thermodynamic Stability of Hepatitis B Virus
Roya Zandi

05:17 PM

(151i) DNA Base Dimers Are Stabilized by Hydrogen Bonding Interactions Including Non-Watson-Crick Pairing near Graphite Surfaces

05:31 PM

(151j) Simulations of Microtubule Forces Derived From Cytoskeletal-Bound Motors
Jun Wu, Robert J. Russell, Nandini Shekhar, Richard Dickinson, Gaurav Misra