Session: Molecular Modeling and Simulation of Complex Molecules II (2011 Annual Meeting)

Thursday, October 20, 2011: 12:30 PM

103 D (Minneapolis Convention Center)

Description:

We invite papers presenting computational investigations of large-scale molecules (highly functionalized polymers, biomolecules, aromatics, etc.). Contributions at the quantum, atomistic, or coarse-grained length scales are all acceptable. Papers showing direct comparisons to experimental measurements or theoretical predictions are especially encouraged.

Sponsor:

Thermodynamics and Transport Properties

Chair:

Jhih-Wei Chu
Email: jwchu@berkeley.edu

Co-Chair:

Neeraj Rai
Email: nrai@nd.edu

12:30 PM

(702a) Molecular Simulations of Macromolecular Materials for Non-Viral Gene Delivery
Arthi Jayaraman and Robert Elder

12:46 PM

(702b) Fundamental Properties of Liquid Crystals From Multiscale Simulations
Abhijeet A. Joshi, Nicholas L. Abbott and Juan J. de Pablo

1:02 PM

(702c) Sequence Landscapes In Peptide Oligomerization and Self-Assembly
M. Scott Shell, Tommy Foley and Joo-Hyun Jeon

1:18 PM

(702d) Decrystallization Thermodynamics of Four Common Cellulose Polymorphs and α-Chitin
Christina M. Payne, James F. Matthews, Yannick J. Bomble, Baron Peters, Michael E. Himmel, Michael F. Crowley and Gregg T. Beckham

1:34 PM

(702e) Solvation and Thermodynamics of Cellulose In Water and Ionic Liquid
Adam S. Gross, Prof. Alexis T. Bell and Prof. Jhih-Wei Chu

1:50 PM

(702f) Unbiased Folding of Helices Using Temperature-Accelerated Molecular Dynamics
Cameron F. Abrams

2:06 PM

(702g) Molecular Simulations of Sequence-Specific Association of Transmembrane Proteins In Lipid Bilayers
Manolis Doxastakis, Lorant Janosi and Anupam Prakash

2:22 PM

(702h) Multiscale Modeling of Nanocarrier Binding to Endothelium
Jin Liu, Ryan P. Bradley, Portonovo S. Ayyaswamy, David M. Eckmann and Ravi Radhakrishnan

2:38 PM

(702i) Polyelectrolytes In Viral Capsids: Predictions From the Density Functional Theory
Zhehui Jin and Jianzhong Wu

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

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