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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Detalles Bibliográficos
Autores principales: Jofily, Paula, Pascutti, Pedro G., Torres, Pedro H. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
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

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7956365/
https://www.ncbi.nlm.nih.gov/pubmed/33668914
http://dx.doi.org/10.3390/molecules26051224

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