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The Application of Molecular Modeling for Prediction of Substrate Specificity in Cytochrome P450 1A2 Mutants

Molecular dynamics (MD) simulations of 7-ethoxy and 7-methoxyresorufin bound in the active site of P450 1A2 wild type and various mutants were used to predict changes in substrate specificity of the mutants. A total of 26 multiple mutants representing all possible combinations of five key amino acid...

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Detalhes bibliográficos
Main Authors: Tu, Youbin, Deshmukh, Rahul, Sivaneri, Meena, Szklarz, Grazyna D.
Formato: Artigo
Idioma:Inglês
Publicado em: 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2574645/
https://ncbi.nlm.nih.gov/pubmed/18703643
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1124/dmd.108.022640
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