Identification of the Binding Site of an Allosteric Ligand Using STD‐NMR, Docking, and CORCEMA‐ST Calculations
Wei Zhang, Rongbao Li, Ronald Shin, Yi‐Min Wang, Indira Padmalayam, Ling Zhai, N. Rama Krishna · ChemMedChem · 2013
Singling out the truth: A combined application of STD-NMR, molecular docking, and CORCEMA-ST calculations is described as an attractive, easily applicable tool for the identification and validation of the binding site for allosteric ligands, with potential application as an aid in drug discovery research.