Machine-learning scoring functions for identifying native poses of ligands docked to known and novel proteins

BACKGROUND: Molecular docking is a widely-employed method in structure-based drug design. An essential component of molecular docking programs is a scoring function (SF) that can be used to identify the most stable binding pose of a ligand, when bound to a receptor protein, from among a large set of...

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Detalles Bibliográficos
Autores principales: Ashtawy, Hossam M, Mahapatra, Nihar R
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2015
Materias:
Research
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4416170/
https://www.ncbi.nlm.nih.gov/pubmed/25916860
http://dx.doi.org/10.1186/1471-2105-16-S6-S3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4416170/
https://www.ncbi.nlm.nih.gov/pubmed/25916860
http://dx.doi.org/10.1186/1471-2105-16-S6-S3

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