This proposal describes computational research in the area of biophysical chemistry to be carried out by the six participating co-investigators. Funding is requested to purchase a CPU upgrade for the computational facilities for biophysical chemistry. The projects for which the requested equipment will be used include: Computer Simulations of Biopolymer Structure and Dynamics, Base Sequence Effects in Double Helical DNA, Molecular Orbital Studies of Metalloorganic Complexes, Electronic Reaction Mechanisms in Metalloenzymes, Crystallographic Studies of Viruses, and NMR Studies of proteins. The need for the CPU upgrade and graphics superworkstation is based on the computationally intensive nature of these projects, and the need for visualization of the computed results concerning complex molecular systems in real time. The addition of this equipment will maintain the state-of-the-art computational facilities for biophysical chemistry at Rutgers which have been built up over the past several years.
