Table of Contents

Introduction
1: Quantum mechanics
2: Molecular mechanics
3: Computational chemistry
4: Modelling biomolecules
5: Ligand design
Concluding remarks
Further reading
Index

Reviews

`This is a very readable account of a subject which attempts to predict molecular structure, properties and reactivity using computational methods alone.'
Aslib Book Guide, Vol. 60, No. 8, August 1995