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EDock‐ML: A web server for using ensemble docking with machine learning to aid drug discovery

EDock‐ML is a web server that facilitates the use of ensemble docking with machine learning to help decide whether a compound is worthwhile to be considered further in a drug discovery process. Ensemble docking provides an economical way to account for receptor flexibility in molecular docking. Mach...

Ausführliche Beschreibung

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Bibliographische Detailangaben
Veröffentlicht in:Protein Sci
Hauptverfasser: Chandak, Tanay, Wong, Chung F.
Format: Artigo
Sprache:Inglês
Veröffentlicht: John Wiley & Sons, Inc. 2021
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC8040857/
https://ncbi.nlm.nih.gov/pubmed/33733530
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/pro.4065
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