Proteins Structure Function and Bioinformatics · 1994 · 179 citations · 19 references
Natural SciencesBiochemistryBiophysicsBiophysical ChemistryMolecular BiophysicsThermodynamicsBinding ThermodynamicsBiomolecular ThermodynamicsBiophysical ThermodynamicsEntropyFree EnergyLigand BindingBinding Free EnergyBinding ProcessesFree Energy ChangesLigand Binding ThermodynamicsLigand-binding EnergeticsProtein-ligand Binding Free EnergyProtein-ligand Binding Free Energy CalculationsProtein-ligand Binding Thermodynamics
The loss of translational degrees of freedom makes an important, unfavorable contribution to the free energy of binding. Examination of experimental values suggest that calculation of this entropy using the Sackur-Tetrode equation produces largely overestimated values. Better agreement is obtained using the cratic entropy. Theoretical considerations suggest that the volumes available for the movement of a ligand in solution and in a complex are rather similar, suggesting also that the cratic entropy provides the best estimate of the loss of translational entropy.
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