Free Energy Calculations in Rational Drug Design
M. Rami Reddy, Mark D. Erion
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.
類別:
年:
2010
版本:
1st Edition.
出版商:
Springer
語言:
english
頁數:
401
ISBN 10:
1441933727
ISBN 13:
9781441933720
文件:
PDF, 18.86 MB
IPFS:
,
english, 2010
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