My main interest is in studying ligand-gated ion channels (LGIC), primarily nicotinic acetylcholine receptors (nAChRs) and ionotropic glutamate receptors (iGluRs), using in silico techniques. I use homology modelling, protein-ligand docking and molecular dynamics to study these proteins.

In my first year, for my second short rotation project at the LSI DTC, I performed molecular dynamics to computational models of the ligand binding domain (LBD) of acetylcholine-gated chloride channels (ACC) from Caenorhabditis elegans and truncated Drosophila melanogaster Dα5 and Dα7 subunits using the structure of acetylcholine binding protein (AChBP) from Lymnaea stagnalis.

Computational studies using AChBP