Editors:
- 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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Table of contents (16 chapters)
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Front Matter
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Back Matter
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.
Editors and Affiliations
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Department of Molecular Biophysics, Laboratory of Computational Structural Biology, Kiev, Ukraine
Leonid Gorb
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Department of Molecular Structure and Chemoinformatics, A.V. Bogatsky Physical-Chemical Institute, National Academy of Sciences of Ukraine, Odessa, Ukraine
Victor Kuz'min
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Department of Chemical Biology and Medicinal Chemistry, University of North Carolina, Laboratory for Molecular Modeling, Chapel Hill, USA
Eugene Muratov
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