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

Crossref DOI link: https://doi.org/10.1007/s10822-015-9878-8

Published Online: 2015-11-03

Published Print: 2015-11

Update policy: https://doi.org/10.1007/springer_crossmark_policy

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