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Prediction of HIV-1 Protease/Inhibitor Affinity using RosettaLigand
Predicting HIV-1 protease/inhibitor binding affinity as the difference between the free energy of the inhibitor bound and unbound state remains difficult as the unbound state exists as an ensemble of conformations with various degrees of flap opening. We improve computational prediction of protease/...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2012
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3342459/ https://ncbi.nlm.nih.gov/pubmed/22321894 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1111/j.1747-0285.2012.01356.x |
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