Details

Position
Former group member
First Name
Kevin
Last Name
Pinto Gil
Title
8 : Not applicable
Project
My MSc project was focused on a molecular dynamics-based scoring function for binding site detection and druggability prediction called MDmix (Seco et al., 2009, J Med Chem, 52 (8):2363-71). Particularly, I worked on its extension by a set of organic molecules. It includes validating the results on test systems and quantifying the improvement for the scoring function. In a broader context, I am interested in binding affinity prediction, its potential use for docking and virtual screening as well as hit to lead and lead optimization.

History

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