Postdoctoral Research Fellowship in Biological Informatics for FY 2002

Stern Harry A, New York NY

Investigators

Abstract

This action funds an NSF Postdoctoral Research Fellowship in Biological Informatics for FY2002. The fellowship supports research and training at the postdoctoral level at the intersection of biology and the informational, computational, mathematical, and statistical sciences. The goal of the fellowship is to provide training to a young scientist in preparation for a career in biological informatics in which research and education will be integrated. There is an increasing need for training in biological informatics at all occupational levels, and it is expected that Fellows trained through these fellowships will play important roles in training the future workforce. The research and training plan for this fellowship is entitled "Computer simulation of lipid bilayer permeation." Phospholipid bilayer membranes regulate the transport of molecules into and out of the cell. Though most transport is assisted by channels or membrane proteins, passive transport directly through the bilayer does occur. A molecular-level understanding of membrane permeation can shed light on the blood-brain barrier, the mechanisms of anesthesia, and basic processes such as osmosis and the diffusion of oxygen and carbon dioxide. It may also assist in predicting the bioavailability of orally-administered drugs. The proposed research is the computer simulation of the permeation of small molecules through lipid bilayer membranes using recent algorithms developed for long-time molecular dynamics simulations.