File Format | PDF
File Size | 18.8 MB
Pages | 401
Language | English
Category | Chemistry
|
Description: 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.
|
Free Energy Calculations in Rational Drug Design