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Predictive Power of Molecular Dynamics Receptor Structures in Virtual Screening
[Image: see text] Molecular dynamics (MD) simulation is a well-established method for understanding protein dynamics. Conformations from unrestrained MD simulations have yet to be assessed for blind virtual screening (VS) by docking. This study presents a critical analysis of the predictive power of...
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| Главные авторы: | , , , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
American Chemical Society
2011
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| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3124922/ https://ncbi.nlm.nih.gov/pubmed/21534609 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci200117n |
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