The main focus of Sensoy Computational Biophysics Lab is to understand underlying molecular mechanisms of biologically relevant processes, determination of allosteric regions involved in mechanism and design effective therapeutic molecules to modulate function of system. To do so, we make use of widely-used computational tools such as molecular dynamics (MD) simulations, homology modeling, molecular docking, free energy calculations, virtual screening, enhanced sampling techniques such as metadynamics, accelerated MD, steered MD etc.
We make close collaborations with biochemists, molecular biologists, biophysicists and medicinal chemists to provide them a mechanistic understanding of their results at molecular level and test our working hypothesis in vitro and in vivo.