Dr Warispreet Singh is an Assistant Professor in Computational Chemistry. WS’s research has focused primarily on computational protein engineering using molecular docking, atomistic molecular dynamics (aMD) simulations, quantum mechanical / molecular mechanics calculations (QM/MM), alchemical free energy calculations and machine learning to improve the substrate scope, catalytic efficiency, stereoselectivity and regioselectivity of industrially important enzymes.
Chemistry PhD February 27 2017
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