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Docking to multiple pockets or ligand fields for screening, activity prediction and scaffold hopping
BACKGROUND: Two recent technological advances dramatically reducing the rate of false-negatives in activity prediction by docking flexible 3D models of compounds include multi-conformational docking (mPockDock) and the docking of candidates to atomic property fields derived by co-crystallized ligand...
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| Veröffentlicht in: | Future Med Chem |
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| Hauptverfasser: | , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2014
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4285145/ https://ncbi.nlm.nih.gov/pubmed/25407367 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.4155/fmc.14.113 |
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