Rank-ordering protein-ligand binding affinity by a quantum mechanics/molecular mechanics/Poisson-Boltzmann-surface area model.
Wang
Mingliang
M
Department of Chemistry and Biochemistry, University of Missouri-Saint Louis, One University Boulevard, Saint Louis, Missouri 63121, USA.
Wong
Chung F
CF
D001381:Azepines / Q000737:chemistry*; D001665:Binding Sites; D003198:Computer Simulation; D017868:Cyclic AMP-Dependent Protein Kinases / Q000737:chemistry*; D062385:Hydroxybenzoates / Q000737:chemistry*; D008024:Ligands; D019563:Mechanics; D008956:Models, Chemical; D008958:Models, Molecular; D011485:Protein Binding; D011789:Quantum Theory
D001381:Azepines; D062385:Hydroxybenzoates; D008024:Ligands; C015405:ophiocordin; D017868:Cyclic AMP-Dependent Protein Kinases