The Performance of Several Docking Programs at Reproducing Protein–Macrolide-Like Crystal Structures
نویسندگان
چکیده
منابع مشابه
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) and confirmed the speed of AutoDock Vina. Afterwards, the lowest-energy conformer of each molecul...
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ژورنال
عنوان ژورنال: Molecules
سال: 2017
ISSN: 1420-3049
DOI: 10.3390/molecules22010136