Binding cooperativity between a ligand carbonyl group and a hydrophobic side chain can be enhanced by additional H-bonds in a distance dependent manner: A case study with thrombin inhibitors
Keywords: Cooperativity; Protein-ligand binding; Ligand binding affinity; Scoring functions; B-factor; Thrombin; Non-additivity; Me; methyl; Bn; benzyl; Boc; tert-butoxycarbonyl; ÎGË; standard Gibbs free energy; Ki; inhibition constant; EDCI; 1-(3-dimethylaminopr