H. Bernhard Schlegel

DFT studies of the ring-opening mechanism of SB-3CT, a potent inhibitor of matrix metalloproteinase 2.

Peng Tao, S. Mobashery, Jed F. Fisher, 2009, Organic Letters.

Matrix metalloproteinase 2 inhibition: combined quantum mechanics and molecular mechanics studies of the inhibition mechanism of (4-phenoxyphenylsulfonyl)methylthiirane and its oxirane analogue.

Thom Vreven, Peng Tao, H. Schlegel, 2009, Biochemistry.