The central goal
of our work is to understand the fundamental mechanism of biomolecular
recognition and binding kinetics using theory and classical mechanical
models. Our research involves the development and application of
computational methods and theoretical models to address medically and
chemically important problems. These methods are of practical importance in
studying biomolecular function, and in the design of new molecules that
bind strongly to their receptors. Systems of particular interest include
existing or potential drug targets, cell signaling complexes and chemical
host-guest systems. Our lab also collaborates with experimental groups on
and off campus.
