This is a proposal for a theoretical study, by combined numerical simulations and analytical techniques, of the structure and dynamics of the interface of water in contact with a solute of nanometer dimension. The main focus is on the eect of interfacial water on the polarization and electrostatic interactions at the protein-water interface in application to electron transport by redox proteins. Redox proteins are employed by biology's energy chains to transport electrons across the cellular membrane. This process is a major step in the overall bioenergetics of the cell.
|Effective start/end date||7/1/12 → 6/30/15|
- National Science Foundation (NSF): $281,000.00