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Free Energy-Based Virtual Screening and Optimization of RNase H Inhibitors of HIV-1 Reverse Transcriptase
[Image: see text] We report the results of a binding free energy-based virtual screening campaign of a library of 77 α-hydroxytropolone derivatives against the challenging RNase H active site of the reverse transcriptase (RT) enzyme of human immunodeficiency virus-1. Multiple protonation states, rot...
Enregistré dans:
| Publié dans: | ACS Omega |
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| Auteurs principaux: | , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
American Chemical Society
2016
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| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5046171/ https://ncbi.nlm.nih.gov/pubmed/27713931 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.6b00123 |
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