Principles of Molecular Recognition

Molecular recognition is a rapidly expanding subject of critical importance to all disciplines concerned with the way molecules of all sizes interact. This book provides a grounding to the topic for those engaged, or about to be engaged, in these activities. Intermolecular forces, fundamental factors affecting molecular recognition, are discussed first and a chapter on small molecules highlights the information which can be applied more generally to larger systems. Later chapters deal with the core topics of molecules in solvents, asymmetric synthesis by catalysis, and the catalytic action of metalloenzymes. The book is completed with coverage of drug discovery and protein dynamics - areas central to the worldwide interest in this field.

Table of Contents:
1 Intermolecular forces.- 1.1 Introduction.- 1.2 The Born—Oppenheimer approximation.- 1.3 Molecules and forces.- 1.4 The hydrophobic effect.- 1.5 Classification of intermolecular forces.- 1.6 Vibrational contributions to intermolecular forces.- 1.7 Magnitudes of contributions to the interaction energy.- 1.8 Forces between macroscopic bodies.- 1.9 The effect of a medium.- 1.10 The hydrogen bond.- References.- 2 Molecular recognition involving small gas-phase molecules.- 2.1 Introduction.- 2.2 How to determine the angular geometry and strength of intermolecular binding for an isolated dimer.- 2.3 Empirical observations about angular geometries in the series B ... HX.- 2.4 An electrostatic model for the hydrogen bond interaction: the Buckingham — Fowler model.- 2.5 The electrostatic model and non-bonding electron pairs.- 2.6 A point-charge representation of non-bonding electron pairs.- 2.7 Isomerism in weakly bound dimers: incipient molecular recognition.- 2.8 Dimers with two interaction sites.- 2.9 Consequences of the rules for angular geometries in the solid state.- References.- 3 Spectroscopic studies of solvents and solvation.- 3.1 Introduction.- 3.1.1 History.- 3.2 Background.- 3.3 Ultraviolet spectroscopy.- 3.4 ESR spectroscopy.- 3.5 Nuclear magnetic resonance studies.- 3.6 Vibrational chromophoric probes.- 3.7 Near infrared studies.- 3.8 Use of results from vibrational spectroscopy to interpret magnetic resonance data.- 3.9 Solvation in biological systems.- References.- 4 Origins of enantioselectivity in catalytic asymmetric synthesis.- 4.1 Introduction.- 4.2 Homogeneous hydrogenation with rhodium complexes.- 4.3 Hydrogenation with ruthenium complexes.- 4.4 Carbon—carbon bond formation through cross-coupling.- 4.5 Carbon—carbon bond formation through allylicalkylation.- References.- 5 Molecular recognition in the catalytic action of metallo-enzymes.- 5.1 Introduction.- 5.2 Methods for simulating reactions in enzymes and solution.- 5.3 Application to the staphylococcal nuclease reaction.- 5.4 Concluding remarks.- Acknowledgements.- References.- 6 Drug discovery.- 6.1 Introduction.- 6.2 Receptors as targets for drug design.- 6.3 Enzymes as targets for drug design.- 6.4 Drug discovery by screening: concluding remarks.- Acknowledgements.- References.- 7 Time scales and fluctuations of protein dynamics: metmyoglobin in aqueous solution.- 7.1 Introduction.- 7.2 Methods.- 7.3 Spatial and temporal fluctuations.- 7.4 Conclusions.- Acknowledgements.- References.

Review :
This text provides excellent background reading for chemists who have an interest in molecular recognition...it is interesting to read and includes over 350 up-to-date references - Chemistry in Britain; ...excellent background reading for chemists who have a interest in molecular recognition, or for those who are keen to move into one of these areas. - Chemistry in Britain.