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Journal of Molecular Modeling

Volumn 17, Issue 4, 2011, Pages 833-849

Computational design of a lipase for catalysis of the Diels-Alder reaction

(4) Linder, Mats a Hermansson, Anders a Liebeschuetz, John b Brinck, Tore a

a ROYAL INSTITUTE OF TECHNOLOGY (Sweden)

b CAMBRIDGE CRYSTALLOGRAPHIC DATA CENTRE (United Kingdom)

Author keywords

CALB; DFT; Diels Alder; Molecular dynamics; Rational design

Indexed keywords

LIPASE B;

ARTICLE; CANDIDA ANTARCTICA; CATALYSIS; COMPUTER MODEL; DENSITY FUNCTIONAL THEORY; DIELS ALDER REACTION; ENZYME SUBSTRATE COMPLEX; FUNGUS MUTATION; HYDROGEN BOND; HYDROPHOBIC INTERACTION CHROMATOGRAPHY; KINETICS; MOLECULAR DOCKING; MOLECULAR DYNAMICS; NONHUMAN; PRIORITY JOURNAL;

AMINO ACID SUBSTITUTION; BINDING SITES; CATALYSIS; COMPUTER-AIDED DESIGN; HYDROGEN BONDING; KINETICS; LIPASE; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MUTATION; PROTEIN BINDING; PROTEIN ENGINEERING; SUBSTRATE SPECIFICITY;

ALNUS; CANDIDA ANTARCTICA;

EID: 79958143417 PISSN: 16102940 EISSN: 09485023 Source Type: Journal
DOI: 10.1007/s00894-010-0775-8 Document Type: Article

Times cited : (11)

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