Integrating docking scores and key interaction profiles to improve the accuracy of molecular docking: towards novel B-Raf<sup>V600E</sup> inhibitors.

Hu, Chun-Qi; Li, Kang; Yao, Ting-Ting; Hu, Yong-Zhou; Ying, Hua-Zhou; Dong, Xiao-Wu

Integrating docking scores and key interaction profiles to improve the accuracy of molecular docking: towards novel B-Raf^V600E inhibitors.

Hu, Chun-Qi; Li, Kang; Yao, Ting-Ting; Hu, Yong-Zhou; Ying, Hua-Zhou; Dong, Xiao-Wu.

Afiliación

Hu CQ; Zhejiang Province Key Laboratory of Anti-Cancer Drug Research , College of Pharmaceutical Sciences , Zhejiang University , Hangzhou , P.R. China . Email: yybb@zju.edu.cn ; Email: dongxw@zju.edu.cn ; ; Tel: +86 571 88981051.
Li K; College of Chemistry & Chemical Engineering , Shaoxing University , Shaoxing , P.R. China.
Yao TT; Yongning Pharma , Taizhou , P.R. China.
Hu YZ; Zhejiang Province Key Laboratory of Anti-Cancer Drug Research , College of Pharmaceutical Sciences , Zhejiang University , Hangzhou , P.R. China . Email: yybb@zju.edu.cn ; Email: dongxw@zju.edu.cn ; ; Tel: +86 571 88981051.
Ying HZ; Collaborative Innovation Center of Yangtze River Delta Region Green Pharmaceuticals , Zhejiang University of Technology , Hangzhou , P.R. China.
Dong XW; Zhejiang Province Key Laboratory of Anti-Cancer Drug Research , College of Pharmaceutical Sciences , Zhejiang University , Hangzhou , P.R. China . Email: yybb@zju.edu.cn ; Email: dongxw@zju.edu.cn ; ; Tel: +86 571 88981051.

Medchemcomm ; 8(9): 1835-1844, 2017 Sep 01.

Article en En | MEDLINE | ID: mdl-30108894

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Texto completo: 1 Bases de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: Medchemcomm Año: 2017 Tipo del documento: Article