Theoretical studies on the deacylation step of acylated Candida Antarctica lipase B: structural and reaction pathway analysis.

Sadeghi Googheri, Mohammad Sadegh; Housaindokht, Mohammad Reza; Sabzyan, Hassan

Sadeghi Googheri, Mohammad Sadegh; Housaindokht, Mohammad Reza; Sabzyan, Hassan.

Afiliación

Sadeghi Googheri MS; Biophysical Chemistry Laboratory, Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran. Electronic address: sadeghi.mohammadsadegh@gmail.com.
Housaindokht MR; Biophysical Chemistry Laboratory, Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran; Research and Technology Center of Biomolecules, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran.
Sabzyan H; Department of Chemistry, University of Isfahan, Isfahan, Iran.

J Mol Graph Model ; 57: 9-19, 2015 Apr.

Article en En | MEDLINE | ID: mdl-25622130

Asunto(s)

Proteínas Fúngicas/química; Proteínas Fúngicas/metabolismo; Lipasa/química; Lipasa/metabolismo; Modelos Moleculares; Acilación; Peróxido de Hidrógeno/química; Hidrólisis; Relación Estructura-Actividad; Termodinámica; Agua/química

Palabras clave

AIM investigation; DFT calculations; Energy profile; Enzymatic catalysis; Hydrogen bond interactions

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Proteínas Fúngicas / Modelos Moleculares / Lipasa Idioma: En Revista: J Mol Graph Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2015 Tipo del documento: Article Pais de publicación: Estados Unidos

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