Lakshmi S Devi-Kesavan

Molecular dynamics simulations of the catalytic pathway of a cysteine protease: a combined QM/MM study of human cathepsin K.

Jiali Gao, Shuhua Ma, Jiali Gao, 2007, Journal of the American Chemical Society.

Dynamics of an enzymatic substitution reaction in haloalkane dehalogenase.

Jiali Gao, Xavier Prat-Resina, Mireia Garcia-Viloca, 2004, Journal of the American Chemical Society.

Combined QM/MM study of the mechanism and kinetic isotope effect of the nucleophilic substitution reaction in haloalkane dehalogenase.

Jiali Gao, Lakshmi S Devi-Kesavan, 2003, Journal of the American Chemical Society.