This action funds an NSF Postdoctoral Research Fellowship in Biological Informatics for FY 2005. 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 "Determining Free-energetic and Hydration Bases for Ion Channel Action via Computation." The fine-tuned molecular structure of ion channels in living cells allows them to selectively conduct a narrow class of ions across the biological membrane. This project uses molecular simulation techniques to study the basis of this fine-tuning. This research is a step toward the global goal of developing a set of computational tools and theoretical constructs for determining the molecular basis of transport action in ion channels of known structure. The training aspect involves assimilating several skills: numerical methods, free energy simulation techniques, and using classical molecular force fields to include many-body effects.
