High Performance Computing Laboratory 

Our research team employs computational biology methodologies to unravel the architecture, behavior, and operational dynamics of macromolecules, with a particular focus on proteins. Through molecular dynamics simulations and network theory, we delve into biological processes like physiological conditions and allostery, unraveling their complexities. We meticulously analyze interactions between proteins and nucleic acids at the atomic level, introducing the innovative concept of protein side-chain networks. These networks illuminate non-covalent interactions among protein side chains, enabling a granular exploration of local structural attributes and overarching traits, such as long-range communicative pathways and regions of flexibility within protein structures. Our work has pioneered techniques accounting for the distinctive shapes and chemical properties of interacting residues, providing a robust framework for studying intricate subjects like allostery, protein folding, and model validation.

Research Interest: Bioinformatics, Structural Biology, Big Data and Cloud Computing