Session: Model Development for Biomolecular Systems (2011 Annual Meeting)

Model Development for Biomolecular Systems

Thursday, October 20, 2011: 3:15 PM

103 D (Minneapolis 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:

Saivenkataraman Jayaraman
Email: sjayara@sandia.gov

Co-Chair:

Michael R. Shirts
Email: michael.shirts@virginia.edu

3:15 PM

(743a) Moving Beyond Watson-Crick, a Non-Canonical, Coarse-Grained Model of DNA
Margaret C. Linak, Richard Tourdot and Kevin D. Dorfman

3:32 PM

(743b) Intermediate-Resolution Model for Simulating DNA Structure and Hybridization
Johnny R. Maury-Evertsz and Carol K. Hall

3:49 PM

(743c) Building DNA Coarse-Grain Potentials for the Modeling of DNA-Peptide Complexes
Vanessa Ortiz, Jie Chen and Barry Honig

4:06 PM

(743d) Viscoelastic Properties of Bacterial Biofilms Using Coarse-Grained Molecular Dynamics Simulations
Shikha Nangia, Rui Li, Adina E. Draghici and Radhakrishna Sureshkumar

4:23 PM

(743e) A Coarse-Grained Model for the Crystalline Structure of I-Alpha and I-Beta Cellulose Based On Force Matching
Sergiy Markutsya and Monica H. Lamm

4:40 PM

(743f) Extending the CHARMM Force Field to Sphingolipids and Lipids with Polyunsaturated Chains
Brent Rogaski and Jeffery Klauda

4:57 PM

(743h) Abstract: Simulated Mutagenesis of VHH Domain In Explicit Solvent: Free-Energy Landscape and Folding Kinetics for the Mutated Hypervariable H1 Loop
Sai Pooja Mahajan and Fernando Escobedo

5:14 PM

(743i) Hydrophobic Association In a Spherically-Symmetric Water Model
Aviel Chaimovich and M. Scott Shell

5:31 PM

(743g) Protein Folding Simulations with Force Fields Optimized for Secondary Structure Balance and Unfolded State Behavior
Robert B. Best and Jeetain Mittal

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

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