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Article

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

Journal of molecular modeling - 1 Apr 2011

Linder Mats, Hermansson Anders, Liebeschuetz John, Brinck Tore

Abstract excerpt

Combined molecular docking, molecular dynamics (MD) and density functional theory (DFT) studies have been employed to study catalysis of the Diels-Alder reaction by a modified lipase. Six variants of the versatile enzyme Candida Antarctica lipase B (CALB) have been rationally engineered in silico...

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Source

Identifiers

PMID: 20574696
DOI: 10.1007/s00894-010-0775-8

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 2 Sept 2026. Prepared record publication-20574696-2026-09-02.2. Manifest publication-graph-cohort-2026-09-02.2.

Source receipt: PubMed via Helena Literature Corpus, retrieved 2 Sept 2026.

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