Desolvation tips the balance: solvent effects on aromatic interactions
- 22 August 2006
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Chemical Communications
- No. 36,p. 3806-3808
- https://doi.org/10.1039/b608165g
Abstract
The folding behaviour of the molecular torsion balance framework is rationalised by considering the effects of solvation using the α/β H-bond parameter scheme for estimating the free energies of pairwise functional group interactions in solution.Keywords
This publication has 12 references indexed in Scilit:
- Relative contributions of desolvation, inter‐ and intramolecular interactions to binding affinity in protein kinase systemsJournal of Computational Chemistry, 2005
- Quantifying Intermolecular Interactions: Guidelines for the Molecular Recognition ToolboxAngewandte Chemie International Edition in English, 2004
- A Weak Attractive Interaction between Organic Fluorine and an Amide GroupAngewandte Chemie International Edition in English, 2004
- Theoretical Study of Alkyl-π and Aryl-π Interactions. Reconciling Theory and ExperimentThe Journal of Organic Chemistry, 2002
- Measurements of Molecular Electrostatic Field Effects in Edge-to-Face Aromatic Interactions and CH-π Interactions with Implications for Protein Folding and Molecular RecognitionJournal of the American Chemical Society, 1998
- Aromatic-Aromatic Ring Interaction Revisited with Model Compounds of WilcoxJournal of Biomolecular Structure and Dynamics, 1997
- Molecular Torsion Balance for Weak Molecular Recognition Forces. Effects of "Tilted-T" Edge-to-Face Aromatic Interactions on Conformational Selection and Solid-State StructureJournal of the American Chemical Society, 1994
- The properties of organic liquids that are relevant to their use as solvating solventsChemical Society Reviews, 1993
- Scales of solute hydrogen-bonding: their construction and application to physicochemical and biochemical processesChemical Society Reviews, 1993
- Strength of molecular complexation of apolar solutes in water and in organic solvents is predictable by linear free energy relationships: a general model for solvation effects on apolar bindingJournal of the American Chemical Society, 1990