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Improving Accuracy and Efficiency of Blind Protein-Ligand Docking by Focusing on Predicted Binding Sites
The use of predicted binding sites (binding sites calculated from the protein structure alone) is evaluated here as a tool to focus the docking of small molecule ligands into protein structures, simulating cases where the real binding sites are unknown. The resulting approach consists of a few indep...
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| Главные авторы: | , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2009
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2610246/ https://ncbi.nlm.nih.gov/pubmed/18636505 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.22154 |
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