Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force FieldLingle Wang, Robert Abel, Donna L. Romero et al.|Journal of the American Chemical Society|2015Cited by 1.4k
Motifs for molecular recognition exploiting hydrophobic enclosure in protein–ligand bindingTom Young, Richard A. Friesner, Robert Abel et al.|Proceedings of the National Academy of Sciences|2007Cited by 706
Role of the Active-Site Solvent in the Thermodynamics of Factor Xa Ligand BindingRobert Abel, Richard A. Friesner, Tom Young et al.|Journal of the American Chemical Society|2008Cited by 677
Advancing Drug Discovery through Enhanced Free Energy CalculationsRobert Abel, Richard A. Friesner, Lingle Wang et al.|Accounts of Chemical Research|2017Cited by 358
Prediction of Protein–Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics SimulationsAnthony J. Clark, B. J. Berne, Pratyush Tiwary et al.|Journal of Chemical Theory and Computation|2016Cited by 244