Quantum chemistry as a tool in asymmetric biocatalysis: limonene epoxide hydrolase test case.
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ABSTRACT:
SUBMITTER: Lind ME
PROVIDER: S-EPMC3734700 | biostudies-literature | 2013 Apr
REPOSITORIES: biostudies-literature
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Quantum chemistry as a tool in asymmetric biocatalysis: limonene epoxide hydrolase test case.
Lind Maria E S ME Himo Fahmi F
Angewandte Chemie (International ed. in English) 20130319 17
Cluster model: Large active-site models (see figure) are used to investigate the selectivity of limonene epoxide hydrolase, both the wild type and mutants optimized through directed evolution. Good agreement is found between theory and the experimental data, thus demonstrating that the quantum chemical cluster approach can be a powerful tool in the field of asymmetric biocatalysis. ...[more]
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