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Article

Identification of selectivity determinants in CYP monooxygenases by modelling and systematic analysis of sequence and structure.

Current drug metabolism - 1 Feb 2012

Seifert Alexander, Pleiss Jurgen

Abstract excerpt

Cytochrome P450 monooxygenases (CYPs) form a large, ubiquitous enzyme family and are of great interest in red and white biotechnology. To investigate the effect of protein structure on selectivity, the binding of substrate molecules near to the active site was modelled by molecular dynamics simulations. From a comprehensive and systematic comparison of more than 6300 CYP sequences and 31 structures using the...

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PMID: 22208534
DOI: 10.2174/138920012798918444

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 5 Sept 2026. Manifest publication-graph-cohort-2026-09-05.1.

Source receipt: pubmed, retrieved 5 Sept 2026.

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