Molecular Modeling of Biophysical Processes I - Molecular Binding

Thursday, November 11, 2010: 8:30 AM
255 A Room (Salt Palace Convention Center)

Description:
Papers are invited that present computational approaches to investigate biological systems at high atomistic and molecular resolution. With the advent of high-performance computing systems there is an increasing capacity to make modeling efforts directly comparable to experimentally observed biological properties and behaviors. In this session, emphasis will be placed in new methodological developments as well as demonstrations of how simulations can be used to gain useful biological insight. This session focuses on processes related to molecular binding.


Sponsor:
Bioengineering
Co-Sponsor(s):
Computational Molecular Science and Engineering Forum (21)


Chair:
Neil S. Forbes
Email: forbes@ecs.umass.edu

Co-Chair:
Gaurav Arya
Email: garya@ucsd.edu

- indicates paper has an Extended Abstract file available on CD.



8:30 AM



9:10 AM

File available
9:30 AM


9:50 AM


10:00 AM
(602e) Predicting the Solubility Limit of Drug Molecules by Molecular Simulation
Andrew S. Paluch, Saivenkataraman Jayaraman and Edward Maginn


See more of this Group/Topical: Food, Pharmaceutical & Bioengineering Division