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Significant Enhancement of Docking Sensitivity using Implicit Ligand Sampling
The efficient and accurate quantification of protein-ligand interactions using computational methods is still a challenging task. Two factors strongly contribute to the failure of docking methods to predict free energies of binding accurately: the insufficient incorporation of protein flexibility co...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3172320/ https://ncbi.nlm.nih.gov/pubmed/21375306 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci100457t |
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