Accurate prediction of the relative potencies of members of a series of kinase inhibitors using molecular docking and MM-GBSA scoring.

Aniline Compounds/chemistry Aurora Kinases Binding Sites Cyclin-Dependent Kinase 2/antagonists & inhibitors Mitogen-Activated Protein Kinase 10/antagonists & inhibitors Models, Molecular Morpholines/chemistry Piperidines/chemistry Protein Conformation Protein Serine-Threonine Kinases/antagonists & inhibitors,chemistry Pyridines/chemistry Pyrimidines/chemistry Quantitative Structure-Activity Relationship Thermodynamics p38 Mitogen-Activated Protein Kinases/antagonists & inhibitors

Aniline Compounds Morpholines Piperidines Pyridines Pyrimidines Mitogen-Activated Protein Kinase 10 Aurora Kinases Protein Serine-Threonine Kinases Cyclin-Dependent Kinase 2 p38 Mitogen-Activated Protein Kinases