A Computational Approach to Enzyme Design: Predicting ω-Aminotransferase Catalytic Activity Using Docking and MM-GBSA Scoring.
Sarah SirinRajesh KumarCarlos MartínezMichael J. KarmilowiczPreeyantee GhoshYuriy A. AbramovVan MartinWoody ShermanPublished in: J. Chem. Inf. Model. (2014)