Multiple Molecular Dynamics Simulations and Free-Energy Predictions Uncover the Susceptibility of Variants of HIV-1 Protease against Inhibitors Darunavir and KNI-1657

HIV-1 protease (PR) is considered to be the main targets of anti-AIDS drug design because of its role in the proteolytic processing of viral polyproteins. However, the emergence of drug-resistant HIV has become a major problem in the therapy of HIV-1-infected patients. Focused on the complexes of wi...

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Publié dans:Langmuir : the ACS journal of surfaces and colloids. - 1985. - 37(2021), 49 vom: 14. Dez., Seite 14407-14418
Auteur principal: Wang, Ruige (Auteur)
Autres auteurs: Zheng, Qingchuan
Format: Article en ligne
Langue:English
Publié: 2021
Accès à la collection:Langmuir : the ACS journal of surfaces and colloids
Sujets:Journal Article HIV Protease Inhibitors HIV Protease EC 3.4.23.- p16 protease, Human immunodeficiency virus 1 Darunavir YO603Y8113