Drug efficiency indices for improvement
β
Alfonso T. GarcΓa-Sosa; Csaba HetΓ©nyi; Uko Maran
π
Article
π
2010
π
John Wiley and Sons
π
English
β 330 KB
## Abstract A dataset of proteinβdrug complexes with experimental binding energy and crystal structure were analyzed and the performance of different docking engines and scoring functions (as well as components of these) for predicting the free energy of binding and several ligand efficiency indice