Computationally Intensive Research Project
Interfaces and Interactions: Non-ideal Behavior of Biological Molecules
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Bernard M. Pettitt,1 Wah Chiu,2 E. Lynn Zechiedrich,2 S. Lennart Johnsson,1 Roland Glowinski1
1University of Houston, 2Baylor College of Medicine
FY07 Allocation - 1,300,000
Abstract
The focus of this project is to achieve an understanding the non-ideal solution behavior of biomolecules at interfaces via multiscale simulation and modeling coupled with experiment. In both device applications as well as in biology, biomacromolecules find themselves in highly nonideal conditions. They function in environments that are not isotropic nor dilute and frequently in the presence of many other species or fields.[1,2] The stability and functionality of biomolecular systems are often dictated by complex environments. Understanding the influence of the liquid and/or solid environment on biological molecules will yield design principles from geobiology to biotechnology to medicinal chemistry. The study of interfaces is a central part of the EMSL mission.
