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Exploring the Reasons for Decrease in Binding Affinity of HIV-2 Against HIV-1 Protease Complex Using Interaction Entropy Under Polarized Force Field

In this study, the differences of binding patterns between two type HIV (HIV-1 and HIV-2) protease and two inhibitors (darunavir and amprenavir) are analyzed and compared using the newly developed interaction entropy (IE) method for the entropy change calculation combined with the polarized force fi...

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Detalles Bibliográficos
Autores principales:	Cong, Yalong, Li, Yuchen, Jin, Kun, Zhong, Susu, Zhang, John Z. H., Li, Hao, Duan, Lili
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2018
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6117221/ https://www.ncbi.nlm.nih.gov/pubmed/30197882 http://dx.doi.org/10.3389/fchem.2018.00380

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