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This text provides an introduction to the use of computer simulation techniques as applied to problems in molecular biology. The book focuses on a number of key applications in order to study macromolecular conformation, flexibility and interactions of biomolecules (such as peptides, proteins and nucleic acids). Besides the introduction (which gives a broad overview of the topic), each of the seven chapters show one example of an important application area in detail. The interdisciplinary approach of the book makes it equally suitable for molecular biologists, biochemists and biophysicians.