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Computing Clinically Relevant Binding Free Energies of HIV-1 Protease Inhibitors
[Image: see text] The use of molecular simulation to estimate the strength of macromolecular binding free energies is becoming increasingly widespread, with goals ranging from lead optimization and enrichment in drug discovery to personalizing or stratifying treatment regimes. In order to realize th...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American Chemical Society
2014
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3966525/ https://ncbi.nlm.nih.gov/pubmed/24683369 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct4007037 |
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