![QM and QM–FE simulations on reactions of relevance to enzyme catalysis: trypsin, catechol O-methyltransferase, β-lactamase and pseudouridine synthase]()
QM and QM–FE simulations on reactions of relevance to enzyme catalysis: trypsin, catechol O-methyltransferase, β-lactamase and pseudouridine synthaseLee, Tai-Sung; Massova, Irina; Kuhn, Bernd; Kollman, Peter A. · Journal of the Chemical Society, Perkin Transactions 2 · 2000