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Virtual screening of B-Raf kinase inhibitors: A combination of pharmacophore modelling, molecular docking, 3D-QSAR model and binding free energy calculation studies.
Zhang, Wen; Qiu, Kai-Xiong; Yu, Fang; Xie, Xiao-Guang; Zhang, Shu-Qun; Chen, Ya-Juan; Xie, Hui-Ding.
Afiliação
  • Zhang W; Department of Medicinal Chemistry, School of Pharmaceutical Science & Yunnan Key Laboratory of Pharmacology for Natural Products, Kunming Medical University, Kunming, Yunnan, 650500, PR China. Electronic address: cherish_719@sina.com.
  • Qiu KX; Department of Medicinal Chemistry, School of Pharmaceutical Science & Yunnan Key Laboratory of Pharmacology for Natural Products, Kunming Medical University, Kunming, Yunnan, 650500, PR China. Electronic address: chenneyao16@hotmail.com.
  • Yu F; Department of Medicinal Chemistry, School of Pharmaceutical Science & Yunnan Key Laboratory of Pharmacology for Natural Products, Kunming Medical University, Kunming, Yunnan, 650500, PR China. Electronic address: yufang519@163.com.
  • Xie XG; Department of Chemistry, Yunnan University, Kunming, Yunnan, 650091, PR China. Electronic address: xgxie@ynu.edu.cn.
  • Zhang SQ; State Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, Kunming, Yunnan, 650201, PR China. Electronic address: zhangshuqun@mail.kib.ac.cn.
  • Chen YJ; Department of Medicinal Chemistry, School of Pharmaceutical Science & Yunnan Key Laboratory of Pharmacology for Natural Products, Kunming Medical University, Kunming, Yunnan, 650500, PR China. Electronic address: Chenyajuan0873@163.com.
  • Xie HD; Department of Medicinal Chemistry, School of Pharmaceutical Science & Yunnan Key Laboratory of Pharmacology for Natural Products, Kunming Medical University, Kunming, Yunnan, 650500, PR China. Electronic address: front701228.student@sina.com.
Comput Biol Chem ; 70: 186-190, 2017 Oct.
Article em En | MEDLINE | ID: mdl-28892749
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Texto completo: 1 Coleções: 01-internacional Temas: Geral Base de dados: MEDLINE Assunto principal: Termodinâmica / Algoritmos / Ensaios de Seleção de Medicamentos Antitumorais / Relação Quantitativa Estrutura-Atividade / Proteínas Proto-Oncogênicas B-raf / Inibidores de Proteínas Quinases / Simulação de Acoplamento Molecular / Antineoplásicos Tipo de estudo: Diagnostic_studies / Screening_studies Limite: Humans Idioma: En Revista: Comput Biol Chem Assunto da revista: BIOLOGIA / INFORMATICA MEDICA / QUIMICA Ano de publicação: 2017 Tipo de documento: Article
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Texto completo: 1 Coleções: 01-internacional Temas: Geral Base de dados: MEDLINE Assunto principal: Termodinâmica / Algoritmos / Ensaios de Seleção de Medicamentos Antitumorais / Relação Quantitativa Estrutura-Atividade / Proteínas Proto-Oncogênicas B-raf / Inibidores de Proteínas Quinases / Simulação de Acoplamento Molecular / Antineoplásicos Tipo de estudo: Diagnostic_studies / Screening_studies Limite: Humans Idioma: En Revista: Comput Biol Chem Assunto da revista: BIOLOGIA / INFORMATICA MEDICA / QUIMICA Ano de publicação: 2017 Tipo de documento: Article