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Incorporating Protein Dynamics Through Ensemble Docking in Machine Learning Models to Predict Drug Binding

Drug discovery is an expensive, lengthy, and sometimes dangerous process. The ability to make accurate computational predictions of drug binding would greatly improve the cost-effectiveness and safety of drug discovery and development. This study incorporates ensemble docking, the use of multiple pr...

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Bibliografski detalji
Izdano u:AMIA Jt Summits Transl Sci Proc
Glavni autori: Alghamedy, Fatemah, Bopaiah, Jeevith, Jones, Derek, Zhang, Xiaofei, Weiss, Heidi L., Ellingson, Sally R.
Format: Artigo
Jezik:Inglês
Izdano: American Medical Informatics Association 2018
Teme:
Online pristup:https://ncbi.nlm.nih.gov/pmc/articles/PMC5961778/
https://ncbi.nlm.nih.gov/pubmed/29888034
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