Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models

Nature Chemistry

Volumn 8, Issue 5, 2016, Pages 419-425

  Dodani, Sheel C ^a   Kiss, Gert ^b   Cahn, Jackson K B ^a   Su, Ye ^a   Pande, Vijay S ^b   Arnold, Frances H ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^b STANFORD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CYTOCHROME P450; HEME; HISTIDINE; TRYPTOPHAN;

CATALYSIS; CHEMISTRY; ENZYME ACTIVE SITE; ENZYMOLOGY; GENETICS; MARKOV CHAIN; MOLECULAR DYNAMICS; MUTAGENESIS; PROTEIN CONFORMATION; STEREOISOMERISM; STREPTOMYCES; X RAY CRYSTALLOGRAPHY;

CATALYSIS; CATALYTIC DOMAIN; CRYSTALLOGRAPHY, X-RAY; CYTOCHROME P-450 ENZYME SYSTEM; HEME; HISTIDINE; MARKOV CHAINS; MOLECULAR DYNAMICS SIMULATION; MUTAGENESIS; PROTEIN CONFORMATION; STEREOISOMERISM; STREPTOMYCES; TRYPTOPHAN;

EID: 84964502545     PISSN: 17554330     EISSN: 17554349     Source Type: Journal    
DOI: 10.1038/nchem.2474     Document Type: Article

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