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

Thursday, October 20, 2011: 8:30 AM

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

Co-Sponsor(s):

Computational Molecular Science and Engineering Forum (21)

Chair:

Jhih-Wei Chu
Email: jwchu@berkeley.edu

Co-Chair:

Neeraj Rai
Email: nrai@nd.edu

8:30 AM

(661a) The Effects of Salt On Lower Critical Solution Temperature Transition of Thermo-Responsive Pnipam-Co-PEGMA Copolymer
Hongbo Du, S. Ranil Wickramasinghe, Mathias Ulbricht and Xianghong Qian

8:46 AM

(661b) Molecular Modeling of the Regulation of Proteins and the Treatment of Alzheimer's: Amyloid Beta and Protein Kinase C
Jacob Weidman and Brian Anderson