UID:
almafu_9959328582802883
Format:
1 online resource (xviii, 281 pages) :
,
illustrations (some color)
ISBN:
3527602712
,
9783527602711
,
3527605304
,
9783527605309
Series Statement:
Methods and principles in medicinal chemistry ; v. 17
Content:
Computational methods are transforming the work of chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances. Written by a team of leading international quantum chemists, this book is aimed at both beginners as well as experienced users of quantum chemical methods. All commonly used quantum chemical methods are treated here, including Density Functional Theory, quantum and molecular mechanical approaches. Numerous examples illustrate the use of these methods for dealing with.
Note:
Advances in density-functional-based modeling techniques -- recent extensions of the Car-Parrinello approach /
,
Density-functional theory applications in computational medicinal chemistry /
,
Applications of Car-Parrinello molecular dynamics in biochemistry -- binding of ligands in myoglobin /
,
Density-functional theory in drug design -- the chemistry of the anti-tumor drug cisplatin and phototactive psoralen compounds /
Additional Edition:
Print version: Quantum medicinal chemistry. Weinheim : Wiley-VCH, ©2003 ISBN 3527304568
Language:
English
Keywords:
Electronic books.
;
Electronic books.
;
Electronic books.
URL:
https://onlinelibrary.wiley.com/doi/book/10.1002/3527602712
URL:
https://onlinelibrary.wiley.com/doi/book/10.1002/3527602712
URL:
https://onlinelibrary.wiley.com/doi/book/10.1002/3527602712
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