Extent of enthalpy–entropy compensation in protein–ligand interactions

• Published in: Protein science Vol. 20; no. 9; pp. 1607 - 1618
• Main Authors: Olsson, Tjelvar S. G., Ladbury, John E., Pitt, Will R., Williams, Mark A.
• Format: Journal Article
• Language: English
• Published: Hoboken Wiley Subscription Services, Inc., A Wiley Company 01.09.2011; Wiley Subscription Services, Inc
• Subjects: binding thermodynamics; Calorimetry; Compensation; enthalpy–entropy compensation; Entropy; free energy; Ligands; Models, Theoretical; Protein Binding; protein complexes; Proteins; Proteins - chemistry; Proteins - metabolism; protein–ligand interactions; Thermodynamics

The extent of enthalpy–entropy compensation in protein–ligand interactions has long been disputed because negatively correlated enthalpy (ΔH) and entropy (TΔS) changes can arise from constraints imposed by experimental and analytical procedures as well as through a physical compensation mechanism. T...