Is It Reliable to Take the Molecular Docking Top Scoring Position as the Best Solution without Considering Available Structural Data?

Molecular docking is the most frequently used computational method for studying the interactions between organic molecules and biological macromolecules. In this context, docking allows predicting the preferred pose of a ligand inside a receptor binding site. However, the selection of the “best” sol...

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Detalles Bibliográficos
Autores principales: Ramírez, David, Caballero, Julio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6102569/
https://www.ncbi.nlm.nih.gov/pubmed/29710787
http://dx.doi.org/10.3390/molecules23051038

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6102569/
https://www.ncbi.nlm.nih.gov/pubmed/29710787
http://dx.doi.org/10.3390/molecules23051038

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