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Construction and test of ligand decoy sets using MDock: CSAR benchmarks for binding mode prediction
Two sets of ligand binding decoys have been constructed for the CSAR (Community Structure-Activity Resource) benchmark by using the MDock and DOCK programs for rigid-ligand and flexible-ligand docking, respectively. The decoys generated for each complex in the benchmark thoroughly cover the binding...
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| Hauptverfasser: | , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2011
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3190646/ https://ncbi.nlm.nih.gov/pubmed/21755952 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci200080g |
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