Molecular Modeling: Basic Principles and Applications, 3rd Edition

Creating a computer model of a molecule with known or unknown structure that can then be studied by computational means is a key skill for biochemists, molecular biologists and aspiring drug developers. Increasingly sophisticated modeling software requires at least a basic understanding of the metho [...]
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Creating a computer model of a molecule with known or unknown structure that can then be studied by computational means is a key skill for biochemists, molecular biologists and aspiring drug developers. Increasingly sophisticated modeling software requires at least a basic understanding of the method in order to avoid misinterpretation of the data generated. Ideal for beginners, this book explains the basics of modeling in a competent yet easily understandable way, with completely worked-out examples to guide readers to their first modeling experiments. This third edition features a new chapter on chemogenomics, reflecting the trend towards 'chemical biology', while the example of protein modeling is completely rewritten for a better 'feel' of modeling complex biomolecules. The authors are experienced university lecturers who regularly hold courses on molecular modeling, making this a tried-and-tested text for teachers. It is equally valuable for experts, since it is the only book to evaluate the strengths and limitations of the molecular modeling techniques and software currently available.