A Bayesian Target Predictor Method based on Molecular Pairing Energies estimation

Virtual screening (VS) is applied in the early drug discovery phases for the quick inspection of huge molecular databases to identify those compounds that most likely bind to a given drug target. In this context, there is the necessity of the use of compact molecular models for database screening an...

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Detalles Bibliográficos
Autores principales: Oliver, Antoni, Canals, Vincent, Rosselló, Josep L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338323/
https://www.ncbi.nlm.nih.gov/pubmed/28263323
http://dx.doi.org/10.1038/srep43738

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338323/
https://www.ncbi.nlm.nih.gov/pubmed/28263323
http://dx.doi.org/10.1038/srep43738

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