A Computational Approach to Enzyme Design: Predicting ω-Aminotransferase Catalytic Activity Using Docking and MM-GBSA Scoring. - Sarah Sirin; Rajesh Kumar; Carlos Martínez; Michael J. Karmilowicz; Preeyantee Ghosh; Yuriy A. Abramov; Van Martin; Woody Sherman (J. Chem. Inf. Model., 2014)