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

Dhoke, Gaurao V.; Loderer, Christoph; Davari, Mehdi D.; Ansorge-Schumacher, Marion B.; Schwaneberg, Ulrich; Bocola, Marco (Corresponding author)

Dordrecht [u.a.] : Springer Science + Business Media B.V (2015)
Fachzeitschriftenartikel

In: Journal of computer aided molecular design
Band: 29
Heft: 11
Seite(n)/Artikel-Nr.: 1057-1069

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