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Book synopsis

Free energy calculations represent the most accurate computational method available for predicting enzyme inhibitor binding affinities. Advances in computer power in the 1990s enabled the practical application of these calculations in rationale drug design. This book represents the first comprehensive review of this growing area of research and covers the basic theory underlying the method, numerous state of the art strategies designed to improve throughput and dozen examples wherein free energy calculations were used to design and evaluate potential drug candidates.

Book details

Book category Books in English Technology, engineering, agriculture Industrial chemistry & manufacturing technologies Industrial chemistry

• Full title: Free Energy Calculations in Rational Drug Design
• Author: M. Rami Reddy, Mark D. Erion
• Language: English
• Binding: Hardback
• Number of pages: 384
• EAN: 9780306466762
• ISBN: 0306466767
• ID: 01379403
• Publisher: Springer Science+Business Media
• Weight: 870 g
• Dimensions: 250 × 170 × 30 mm
• Date of publishing: 31. December 2001

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