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Improving Blind Docking in DOCK6 through an Automated Preliminary Fragment Probing Strategy
Probing protein surfaces to accurately predict the binding site and conformation of a small molecule is a challenge currently addressed through mainly two different approaches: blind docking and cavity detection-guided docking. Although cavity detection-guided blind docking has yielded high success...
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| Veröffentlicht in: | Molecules |
|---|---|
| Hauptverfasser: | , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
MDPI
2021
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7956365/ https://ncbi.nlm.nih.gov/pubmed/33668914 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules26051224 |
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