Article
Learning from directed evolution: theoretical investigations into cooperative mutations in lipase enantioselectivity.
Chembiochem : a European journal of chemical biology - 6 Feb 2004
Bocola Marco, Otte Nikolaj, Jaeger Karl-Erich, Reetz Manfred T, Thiel Walter
Abstract excerpt
Molecular modeling with classical force-fields has been used to study the reactant complex and the tetrahedral intermediate in lipase-catalyzed ester hydrolysis in 20 enzyme/substrate combinations. The R and S enantiomers of alpha-methyldecanoic acid ester served as substrates for the wild-type l...
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