Areas of Interest
Our research involves the use of computational approaches, based on both biophysics and bioinformatics, to study the structure, function and evolution of biological macromolecules.
We are particularly interested in nature’s nanomachines: molecular motors and switches, which lie at the heart of biological processes, from the division and growth of cells to the muscular movement of organisms. A major portion of our research is focused on deciphering how these fascinating proteins work, and how to manipulate them for industrial and medical advantage.
Specific areas of expertise include:
- Application of advanced molecular simulation techniques including molecular dynamics, Brownian dynamics and normal mode analysis to probe the structure, dynamics, interactions and thermodynamics of proteins and their complexes.
- Development and application of bioinformatics methods for the analysis of protein sequence-structure-function relationships.
- Virtual screening, structure-based drug design, cheminformatics and molecular modeling supporting drug discovery and design.
- Exploring data resulting from molecular simulations, bioinformatic analysis and drug discovery projects using multivariate statistical methods.