Free Energy Calculations in Rational Drug Design
M. Rami Reddy, Mark D. Erion, &quotFree Energy Calculations in Rational Drug Design&quot
English | 2001 | ISBN: 1441933727 | PDF | pages: 401 | 18.9 mb
Free energy calculations represent the most accurate computational method available f08r predicting enzyme inhibit08r 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 4nd covers the basic the08ry underlying the method, numerous state of the art strategies designed to improve throughput 4nd dozen examples w6eerein free energy calculations were used to design 4nd evaluate potential drug c4ndidates.