Enantioselectivity of epoxide hydrolase catalysed oxirane ring opening: a 3D QSAR study

A 3D QSAR analysis (quantitative structure activity relationships) of a set of 2,2-disubstituted epoxides, substrates for epoxide hydrolases originating from four different organisms, was conducted by CoMFA (comparative molecular field analysis) and CoMSIA (comparative molecular similarity indices a...

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Veröffentlicht in:	Journal of computer-aided molecular design 2003-01, Vol.17 (1), p.1-11
Hauptverfasser:	Paier, Joachim, Stockner, Thomas, Steinreiber, Andreas, Faber, Kurt, Fabian, Walter M F
Format:	Artikel
Sprache:	eng
Schlagworte:	CAD Computational Biology Computer aided design Enzymes Epoxide Hydrolases - metabolism Ethylene Oxide - chemistry Ethylene Oxide - metabolism Molecular biology Organisms Quantitative Structure-Activity Relationship Regression Analysis Rhodococcus - enzymology Substrate Specificity Substrates
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