Computational investigation on the binding modes of PET polymer to PETase.

Guo, Xuehui; Jiang, Yiming; Xie, Daiqian; Zhou, Yanzi

Guo, Xuehui; Jiang, Yiming; Xie, Daiqian; Zhou, Yanzi.

Afiliación

Guo X; Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, China.
Jiang Y; Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, China.
Xie D; Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, China.
Zhou Y; Institute of Theoretical and Computational Chemistry, Key Laboratory of Mesoscopic Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing, China.

J Biomol Struct Dyn ; : 1-8, 2023 Jul 28.

Article en En | MEDLINE | ID: mdl-37505088

Palabras clave

PETase; binding free energy; binding mode; molecular docking; molecular dynamics simulations

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Biomol Struct Dyn Año: 2023 Tipo del documento: Article País de afiliación: China

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google