The Performance of Several Docking Programs at Reproducing Protein–Macrolide-Like Crystal Structures

The accuracy of five docking programs at reproducing crystallographic structures of complexes of 8 macrolides and 12 related macrocyclic structures, all with their corresponding receptors, was evaluated. Self-docking calculations indicated excellent performance in all cases (mean RMSD values ≤ 1.0)...

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Detalles Bibliográficos
Autores principales: Castro-Alvarez, Alejandro, Costa, Anna M., Vilarrasa, Jaume
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6155922/
https://www.ncbi.nlm.nih.gov/pubmed/28106755
http://dx.doi.org/10.3390/molecules22010136

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6155922/
https://www.ncbi.nlm.nih.gov/pubmed/28106755
http://dx.doi.org/10.3390/molecules22010136

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