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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...

詳細記述

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書誌詳細
主要な著者: Ghersi, Dario, Sanchez, Roberto
フォーマット: Artigo
言語:Inglês
出版事項: 2009
主題:
オンライン・アクセス: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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