Activity prediction of substrates in NADH-dependent carbonyl reductase by docking requires catalytic constraints and charge parameterization of catalytic zinc environment期刊界 All Journals 搜尽天下杂志传播学术成果专业期刊搜索期刊信息化学术搜索

Activity prediction of substrates in NADH-dependent carbonyl reductase by docking requires catalytic constraints and charge parameterization of catalytic zinc environment

Authors:	Gaurao V. Dhoke Christoph Loderer Mehdi D. Davari Marion Ansorge-Schumacher Ulrich Schwaneberg Marco Bocola

Affiliation:	1. Chair of Biotechnology, RWTH Aachen University, Worringer Weg 3, 52074, Aachen, Germany 3. Chair of Molecular Biotechnology, Institute of Microbiology, Technische Universit?t Dresden, 01062, Dresden, Germany 2. DWI-Leibniz Institut für Interaktive Materialien, Forckenbeckstra?e 50, 52056, Aachen, Germany

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