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Revealing the binding and drug resistance mechanism of amprenavir, indinavir, ritonavir, and nelfinavir complexed with HIV-1 protease due to double mutations G48T/L89M by molecular dynamics simulations and free energy analyses.
Wang, Rui-Ge; Zhang, Hong-Xing; Zheng, Qing-Chuan.
Afiliación
  • Wang RG; Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Jilin University, Changchun 130023, P. R. China. zhengqc@jlu.edu.cn.
  • Zhang HX; Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Jilin University, Changchun 130023, P. R. China. zhengqc@jlu.edu.cn.
  • Zheng QC; Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Jilin University, Changchun 130023, P. R. China. zhengqc@jlu.edu.cn and Key Laboratory for Molecular Enzymology and Engineering of the Ministry of Education, College of life Science, Jilin University, Changchun 130023, People's Republic of China. zhanghx@mail.jlu.edu.cn.
Phys Chem Chem Phys ; 22(8): 4464-4480, 2020 Feb 26.
Article en En | MEDLINE | ID: mdl-32057044
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Proteasa del VIH / Simulación de Dinámica Molecular Tipo de estudio: Guideline Idioma: En Año: 2020 Tipo del documento: Article
Texto completo
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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Proteasa del VIH / Simulación de Dinámica Molecular Tipo de estudio: Guideline Idioma: En Año: 2020 Tipo del documento: Article