Polyphony: superposition independent methods for ensemble-based drug discovery - Pitt, William R; Montalvão, Rinaldo W; Blundell, Tom L (BMC bioinformatics, 2014)
Keywords: Activation; Algorithms; Allosteric Site; Bioinformatics; Biomedical and Life Sciences; Computational Biology - methods; Computational Biology/Bioinformatics; Computer Appl. in Life Sciences; Computer simulation; Crystal structure; Crystallography, X-Ray; Cyclin-Dependent Kinase 2 - chemistry; Cyclin-Dependent Kinase 2 - metabolism; Drug Design; Drug Discovery - methods; Drugs; Kinases; Life Sciences; Ligands; Methodology; Methodology Article; Microarrays; Mitogen-Activated Protein Kinase 14 - chemistry; Mitogen-Activated Protein Kinase 14 - metabolism; Molecular Dynamics Simulation; Phosphorylation; Pocket; Protein Conformation; Proteins; Source code; Structural analysis; Root Mean Square Deviation; Backbone Conformation; Root Mean Square Fluctuation; Alignment Position; Hinge Region