Titlebook: Computational Approaches in Supramolecular Chemistry; Georges Wipff Book 1994 Springer Science+Business Media Dordrecht 1994 Dynamics.Mont

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Non-Covalent Interactions in Organic Crystals, and the Calibration of Empirical Force Fields,The few principles presently available on the general rules that control the crystal packing of organic molecules are briefly reviewed. The empirical formulations for the calculation of crystal energies are examined. An optimized force field of rather general applicability is introduced and discussed.

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Receptor-Ligand Interactions in Pharmacology and Drug Design,Using primary sequence analysis and experimental data, 3D models of G protein-coupled receptors have been defined. They allow a qualitative description of the neurotransmitter binding site and represent a source of novel, important working hypotheses. A number of experimental results have already validated the model.

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M. A. Azizi,A. A. Fahad,S. A. Rahimaham, based on Gibbs energies, and the hydrogen-bond acidity and basicity scales of Raevsky, based on enthalpies. Such scales may not be appropriate for situations in which the solute is surrounded by solvent molecules, and then the effective or summation hydrogen-bond acidity and basicity descripto