Research Interest

I am interested in the application of atomistic and coarse-grained molecular dynamics simulations to investigate protein-ligand interactions. I am also interested in: virtual screening, peptide modification, structural drug design by involving post-translational modifications specifically glycosylation, molecular docking and binding free energy calculations of protein-ligand complexes. I would like to work in close collaboration with other computational chemistry and biology experts to propose testable hypotheses or to test their insights on various drug discovery targets.

Leave a comment