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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)...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2017
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| Materias: | |
| 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 |