Professor, Department of Chemistry & Biochemistry
Duquesne University, USA
Application of molecular Mechanics and Dynamics to study the structure or function of proteins interacting with surfaces. Study of substrate-receptor interactions using a variety of computational tools, such as Brownian dynamics and Poisson-Boltzmann electrostatics. Application of quantum mechanical calculations to understand the reactivity of nitrile anions. Development of new and novel software programs that can be used in the above research projects.