Protein-ligand interaction fingerprints for accurate prediction of dissociation rates of p38 MAPK Type II inhibitors.

Zhang, Duo; Huang, Shuheng; Mei, Hu; Kevin, MuliadiYeremia; Shi, Tingting; Chen, Linxin

Zhang, Duo; Huang, Shuheng; Mei, Hu; Kevin, MuliadiYeremia; Shi, Tingting; Chen, Linxin.

Afiliação

Zhang D; Key Laboratory of Biorheological Science and Technology (Ministry of Education), Chongqing University, Chongqing, China.
Huang S; College of Bioengineering, Chongqing University, Chongqing, China.
Mei H; Key Laboratory of Biorheological Science and Technology (Ministry of Education), Chongqing University, Chongqing, China.
Kevin M; College of Bioengineering, Chongqing University, Chongqing, China.
Shi T; Key Laboratory of Biorheological Science and Technology (Ministry of Education), Chongqing University, Chongqing, China.
Chen L; College of Bioengineering, Chongqing University, Chongqing, China.

Integr Biol (Camb) ; 11(2): 53-60, 2019 Feb 01.

Article em En | MEDLINE | ID: mdl-30855664

Palavras-chave

dissociation rate constant; inhibitors; p38 mitogen-activated protein kinase; position-restrained molecular dynamics; prediction; proteinligand interaction fingerprints

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies / Risk_factors_studies Idioma: En Revista: Integr Biol (Camb) Assunto da revista: BIOLOGIA Ano de publicação: 2019 Tipo de documento: Article País de afiliação: China País de publicação: Reino Unido

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