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"Activity prediction of substrates in NADH-dependent carbonyl reductase by ..."
Gaurao V. Dhoke et al. (2015)
- Gaurao V. Dhoke
, Christoph Loderer, Mehdi D. Davari
, Marion Ansorge-Schumacher, Ulrich Schwaneberg
, Marco Bocola:
Activity prediction of substrates in NADH-dependent carbonyl reductase by docking requires catalytic constraints and charge parameterization of catalytic zinc environment. J. Comput. Aided Mol. Des. 29(11): 1057-1069 (2015)
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