Biomolecular Simulation presents descriptions of various biomolecular simulation techniques and sampling methods, and provides a thorough understanding of the microscopic details of how biomolecules work. This book is centered on the concept of free energy and is based on real problems related to protein structure and function. Discussion includes physico-chemical concepts and simulation techniques. The authors provide exercises and examples throughout the book as well as a CD-ROM to assist practical implementation of methods in a production simulation package (ADUN).