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Synopsis Molecular modeling is the science and art of studying molecular structure and function through model building and computation. It is a rapidly developing discipline, and has benefited from the dramatic improvements in computer hardware and software of recent years. The range of systems that can be considered in molecular modeling is extremely broad, from isolated molecules through simple atomic and molecular liquids to polymers, biological macro-molecules such as proteins and DNA and solids. The book is intended to provide an introduction to the techniques and used in molecular modeling and to illustrate how these techniques can be used to study physical, chemical and biological phenomena. It will serve as a highly valuable reference tool to students and professionals of varied science subjects.