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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7956365/ https://www.ncbi.nlm.nih.gov/pubmed/33668914 http://dx.doi.org/10.3390/molecules26051224 |