Quantum Mechanical/Molecular Mechanical Analysis of the Catalytic Mechanism of Phosphoserine Phosphatase.

Krachtus, Dieter; Smith, Jeremy C; Imhof, Petra

Krachtus, Dieter; Smith, Jeremy C; Imhof, Petra.

Afiliação

Krachtus D; Computational Molecular Biophysics Group, Interdisciplinary Center for Scientific Computing (IWR), Im Neuenheimer Feld 368, 69120 Heidelberg, Germany. dieter.krachtus@genflux.de.
Smith JC; Computational Molecular Biophysics Group, Interdisciplinary Center for Scientific Computing (IWR), Im Neuenheimer Feld 368, 69120 Heidelberg, Germany. smithjc@ornl.gov.
Imhof P; University of Tennessee/Oak Ridge National Laboratory, Center for Molecular Biophysics, One Bethel Valley Road, P.O. Box 2008, Oak Ridge, TN 37831-6255, USA. smithjc@ornl.gov.

Molecules ; 23(12)2018 Dec 17.

Article em En | MEDLINE | ID: mdl-30563005

Assuntos

Monoéster Fosfórico Hidrolases/química; Catálise; Simulação de Dinâmica Molecular; Teoria Quântica

Palavras-chave

QM/MM; phosphoserine phosphatase; reaction pathways, reaction coordinate

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Monoéster Fosfórico Hidrolases Idioma: En Revista: Molecules Ano de publicação: 2018 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google