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, Markus K. Dahlgren et al.|Journal of the American Chemical Society|2015Cited by 1.4k
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
Docking Covalent Inhibitors: A Parameter Free Approach To Pose Prediction and ScoringKai Zhu, Edward Harder, Kenneth Borrelli et al.|Journal of Chemical Information and Modeling|2014Cited by 465
Contribution of Explicit Solvent Effects to the Binding Affinity of Small‐Molecule Inhibitors in Blood Coagulation Factor Serine ProteasesRobert Abel, Woody Sherman, Noeris K. Salam et al.|ChemMedChem|2011Cited by 127