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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Detalles Bibliográficos
Autores principales: Alghamedy, Fatemah, Bopaiah, Jeevith, Jones, Derek, Zhang, Xiaofei, Weiss, Heidi L., Ellingson, Sally R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Medical Informatics Association 2018
Materias:
Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5961778/
https://www.ncbi.nlm.nih.gov/pubmed/29888034

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