Professor of Chemistry
Research Interests:
Molecular dynamics simulation
of biological macromolecules, particularly proteins. Recent and continued
application to HIV-1 protease, an enzyme necessary for reproduction of
the HIV-1 virus, in order to elucidate the mechanism of catalysis. Development
of simulation methods incorporating hybrid quantum mechanical and molecular
mechanical potentials and their application to the study of enzyme mechanism,
especially to HIV-1 protease and to other aspartic proteases.