My research interests revolve around understanding fundamental biological processes at a molecular level using computational and theoretical approaches.
My current project is focused on identifying key residues in allosteric proteins using various compuatational methods, as well as undersatnding the mechanism of revelent long-ranged energy transfers in proteins. Most of the simulation techniques that I have explored so far are based on molecular dynamics (MD), usually involving running MD with excitation along normal modes or anisotropic thermal diffusion.
In Plain English
Allostery is the process whereby modulation of properties at one site of protein causes a functional change at a distant site. Allostery plays important roles in cell signalling and a better understanding of allosteric communications can potentially shed light on novel drug discoveries.