Overview Research

Our group (believe it or not) is focused on combining principles and theory of computational chemistry and biology to applications of atomistic simulations with the goal of moving beyond conventional approaches of understanding complex biological processes. We develop and integrate novel computational methods to understand protein dynamics related to fields in medicine and plant biology.

Projects Research

Computational Plant Biology

Shukla Group employs computational techniques for interrogating protein dynamics to investigate regulation of plant membrane transporters and hormone receptors, and in doing so, guide future crop innovation.

Molecular Medicine

Our group is interested in deciphering the mechanisms of regulation of protein function with a particular focus on membrane transporter proteins and G-protein coupled receptors (GPCRs).

Simulation Methods

We are developing computational methods to address the challenges of adequate sampling, accuracy and interpretability of large scale simulation data.