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Scoring Ensembles of Docked Protein:Ligand Interactions for Virtual Lead Optimization
Ensembles of protein structures to simulate protein flexibility are widely used throughout several applications including virtual lead optimization where they have been shown to improve ligand ranking. Yet, there is no established convention for weighting individual scores generated from ensemble me...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2009
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2819002/ https://ncbi.nlm.nih.gov/pubmed/19950979 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci9003078 |
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