| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383384 | Chemical Physics Letters | 2012 | 5 Pages |
Abstract
⺠MD simulations showed that pocket-ligand nonpolar binding is enthalpy-driven. ⺠The Gibbs energy gain upon hydrophobic association is due to WASA decrease. ⺠The latter produces a gain in translational entropy of water molecules. ⺠This is the main driving force of hydrophobic association. ⺠Water reorganisation is characterised by total enthalpy-entropy compensation.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Giuseppe Graziano,