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Challenges and Advances in Computational Chemistry and Physics

Application of Computational Techniques in Pharmacy and Medicine

Editors: Gorb, Leonid, Kuz'min, Victor, Muratov, Eugene (Eds.)

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  • 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
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eBook $259.00
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  • ISBN 978-94-017-9257-8
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Hardcover $349.99
price for USA in USD
  • ISBN 978-94-017-9256-1
  • Free shipping for individuals worldwide
  • Immediate ebook access, if available*, with your print order
  • Usually dispatched within 3 to 5 business days.
Softcover $329.99
price for USA in USD
  • Customers within the U.S. and Canada please contact Customer Service at +1-800-777-4643, Latin America please contact us at +1-212-460-1500 (24 hours a day, 7 days a week). Pre-ordered printed titles are excluded from promotions.
  • Due: October 28, 2016
  • ISBN 978-94-024-0696-2
  • Free shipping for individuals worldwide
  • Immediate ebook access, if available*, with your print order
About this book

The proposed volume provides both fundamental and detailed information about the computational and computational-experimental studies which improve our knowledge of how leaving matter functions, the different properties of drugs (including the calculation and the design of new ones), and the creation of completely new ways of treating numerical diseases. Whenever it is possible, the interplay between theory and experiment is provided. The book features computational techniques such as quantum-chemical and molecular dynamic approaches and quantitative structure–activity relationships.
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.

Table of contents (16 chapters)

Table of contents (16 chapters)
  • Hybrid QM/MM Methods: Treating Electronic Phenomena in Very Large Molecular Systems

    Pages 1-20

    Monari, Antonio (et al.)

  • Structure, Thermodynamics and Energetics of Drug-DNA Interactions: Computer Modeling and Experiment

    Pages 21-57

    Evstigneev, Maxim P. (et al.)

  • Formation of DNA Lesions, its Prevention and Repair

    Pages 59-94

    Jena, Nihar R. (et al.)

  • DNA Dependent DNA Polymerases as Targets for Low-Weight Molecular Inhibitors: State of Art and Prospects of Rational Design

    Pages 95-135

    Nyporko, Alexey Yu.

  • Molecular Structures, Relative Stability, and Proton Affinities of Nucleotides: Broad View and Novel Findings

    Pages 137-180

    Zubatiuk, Tetiana A. (et al.)

Buy this book

eBook $259.00
price for USA in USD
  • ISBN 978-94-017-9257-8
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $349.99
price for USA in USD
  • ISBN 978-94-017-9256-1
  • Free shipping for individuals worldwide
  • Immediate ebook access, if available*, with your print order
  • Usually dispatched within 3 to 5 business days.
Softcover $329.99
price for USA in USD
  • Customers within the U.S. and Canada please contact Customer Service at +1-800-777-4643, Latin America please contact us at +1-212-460-1500 (24 hours a day, 7 days a week). Pre-ordered printed titles are excluded from promotions.
  • Due: October 28, 2016
  • ISBN 978-94-024-0696-2
  • Free shipping for individuals worldwide
  • Immediate ebook access, if available*, with your print order
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Bibliographic Information

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
Series Volume
17
Copyright
2014
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media Dordrecht
eBook ISBN
978-94-017-9257-8
DOI
10.1007/978-94-017-9257-8
Hardcover ISBN
978-94-017-9256-1
Softcover ISBN
978-94-024-0696-2
Series ISSN
2542-4491
Edition Number
1
Number of Pages
XIII, 550
Number of Illustrations
92 b/w illustrations, 80 illustrations in colour
Topics

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