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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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Bibliographische Detailangaben
Veröffentlicht in:Molecules
Hauptverfasser: Jofily, Paula, Pascutti, Pedro G., Torres, Pedro H. M.
Format: Artigo
Sprache:Inglês
Veröffentlicht: MDPI 2021
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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