Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge
© 2020 Wiley Periodicals, Inc.
Détails bibliographiques
| Publié dans: | Journal of computational chemistry. - 1984. - 41(2020), 19 vom: 15. Juli, Seite 1773-1780
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| Auteur principal: |
Peng, Cheng
(Auteur) |
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| Autres auteurs: |
Wang, Jinan,
Xu, Zhijian,
Cai, Tingting,
Zhu, Weiliang |
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| Format: | Article en ligne
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| Langue: | English |
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| Publié: |
2020
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| Accès à la collection: | Journal of computational chemistry
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| Sujets: | Journal Article
Research Support, Non-U.S. Gov't
HIV-1 protease
adaptive steered molecular dynamics (ASMD)
binding affinity
semi-empirical quantum mechanics
HIV Protease Inhibitors
HIV Protease
EC 3.4.23.- |
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