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In pursuit of virtual lead optimization: The role of the receptor structure and ensembles in accurate docking
Accurate ranking during in silico lead optimization is critical to drive the generation of new ligands with higher affinity, yet it is especially difficult because of the subtle changes between analogs. In order to assess the role of the structure of the receptor in delivering accurate lead ranking...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2008
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3644990/ https://ncbi.nlm.nih.gov/pubmed/18473360 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.22081 |
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