US-Czechoslovakia Research On Solvation Of Artificial Enzymes

This US-Czechoslovakia research project between Dr. Carol A. Venanzi of the New Jersey Institute of Technology and Dr. Tibor Kozar of the Biophysics Institute of the Institute of Experimental Physics, Kosice, Czechoslovakia will study the solvent effects on the conformation of a set of artificial enzymes. Each group will bring to this collaboration its own expertise. The Slovak investigators will apply the random walk molecular mechanics method to the conformational analysis of the artificial enzymes in the gas phase. Results will be used to evaluate the technique in terms of the U.S. investigators' distance geometry and molecular dynamics results. Both groups will study the solvent effects on molecular conformation; the Slovak investigators will use the continuum solvent model in conjunction with the random walk technique while the U.S. investigators will use discrete solvent molecular dynamics simulations. The project should yield a thorough evaluation of methods for searching for the conformational potential energy surface of a molecule. This project in biochemistry fulfills the program objective of advancing scientific knowledge by enabling leading experts in the United States and Eastern Europe to combine complementary talents and pool resources in areas of strong mutual interest and competence.