Overview
- Features the state-of-the-art applications of QM and hybrid QM/MM techniques
- Advises on how to predict drug efficiency
- Takes a computational and experimental approach
- Interdisciplinary focus of interest for experts from many research areas
- Includes supplementary material: sn.pub/extras
Part of the book series: Challenges and Advances in Computational Chemistry and Physics (COCH, volume 17)
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About this book
The initial chapters describe the state-of-the art research on the computational investigations in molecular biology, molecular pharmacy, and molecular medicine performed with the use of pure quantum-chemical techniques. The central part of the book illustrates the status of computational techniques that utilize hybrid, so called QM/MM approximations as well as the results of the QSAR studies which now are the most popular in predicting drugs’ efficiency. The last chapters describe combined computational and experimental investigations.
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Keywords
Table of contents (16 chapters)
Editors and Affiliations
Bibliographic Information
Book Title: Application of Computational Techniques in Pharmacy and Medicine
Editors: Leonid Gorb, Victor Kuz'min, Eugene Muratov
Series Title: Challenges and Advances in Computational Chemistry and Physics
DOI: https://doi.org/10.1007/978-94-017-9257-8
Publisher: Springer Dordrecht
eBook Packages: Chemistry and Materials Science, Chemistry and Material Science (R0)
Copyright Information: Springer Science+Business Media Dordrecht 2014
Hardcover ISBN: 978-94-017-9256-1Published: 20 November 2014
Softcover ISBN: 978-94-024-0696-2Published: 10 September 2016
eBook ISBN: 978-94-017-9257-8Published: 07 November 2014
Series ISSN: 2542-4491
Series E-ISSN: 2542-4483
Edition Number: 1
Number of Pages: XIII, 550
Number of Illustrations: 92 b/w illustrations, 80 illustrations in colour
Topics: Theoretical and Computational Chemistry, Medicinal Chemistry, Pharmacy, Bioinformatics, Biomedicine general