Gateway Park 4019
+1 (508) 8315000 x4160
BS Moscow Institute of Physics and Technology 1990
MS Yale University 1993
PhD Yale University 1998

I am a computational physical chemist. My research is in the areas of force field building and applications. Special attention is given to creating polarizable force fields for organic and biophysical systems, including proteins and protein-ligand complexes. I teach classes in physical, computational and general chemistry. Simulations of proteins is very important in biomedical research because proteins play crucial role in a large number of biological phenomena, both benign and harmful. But the results of these simulations are only as good as the quality of the "nuts and bolts" used in modeling the molecules, and these "nuts and bolts" are what is usually termed "the force field". My research is focused on understanding the underlying mechanics of the molecular interactions, creating tools for simulating big systems and on testing and applying such tools. I believe that formal undergraduate teaching is a way of forming rigorous understanding and skills in the area of basic scientific knowledge. The classes taught at the graduate level can also be used to introduce a broader perspective about actual and possible applications of this basic knowledge, and research in the lab, both graduate and undergraduate, leads to creative application of the acquired understanding and skills.

Scholarly Work

Polarizable Simulations with Second-Order Interaction Model (POSSIM) force field: Developing parameters for side-chain analogues
Calculating pKa values for substituted phenols and hydration energies for other compounds with the first-order fuzzy-border continuum solvation model
Importance of electrostatic polarizability in calculating cysteine acidity constants and copper(I) binding energy of Bacillus subtilis CopZ
Polarizable Simulations with Second-Order Interaction Model (POSSIM) Force Field: Developing Parameters for Alanine Peptides and Protein backbone
Electrostatic Polarization is Crucial in Reproducing Cu(I) Interaction Energies and Hydration
Reproducing Basic pK(a) values for Turkey Ovomucoid Third Domain Using a Poalrizable Force Field