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Methods in Molecular Biology

Computational Drug Discovery and Design

Editors: Baron, Riccardo (Ed.)

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  • Manual for state-of-the-art concepts and methodologies, as well as an advanced, speacialized tool to design novel and original research for public health
  • Provides step-by-step detail essentinal for reporducible results
  • Contains key notes and implementation advice from the experts
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  • ISBN 978-1-61779-465-0
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Hardcover $279.99
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Softcover $199.00
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About this book

Due to the rapid and steady growth of available low-cost computer power, the use of computers for discovering and designing new drugs is becoming a central topic in modern molecular biology and medicinal chemistry. In Computational Drug Discovery and Design: Methods and Protocols expert researchers in the field provide key techniques to investigate biomedical applications for drug developments based on computational chemistry. These include methods and techniques from binding sites prediction to the accurate inclusion of solvent and entropic effects, from high-throughput screening of large compound databases to the expanding area of protein-protein inhibition, toward quantitative free-energy approaches in ensemble-based drug design using distributed computing. Written in the highly successful Methods in Molecular Biology™ series format, chapters include introductions to their respective topics, reference to software and open source analysis tools, step-by-step, readily reproducible computational protocols, and key tips on troubleshooting and avoiding known pitfalls.

 

Thorough and intuitive, Computational Drug Discovery and Design: Methods and Protocols aids scientists in the continuing study of state-of-the-art concepts and computer-based methodologies.

Reviews

From the reviews:

“Given that computational drug design is a rapidly expanding area of research, this book fills a niche that makes it useful for both novices and the more experienced in the field. … this is a practical manual, refitted with many protocols and examples, of how to employ the new techniques being developed by experts in the expanding field of computational drug discovery.” (Jed N. Lampe, Doody’s Book Reviews, July, 2012)

Table of contents (36 chapters)

Table of contents (36 chapters)
  • A Molecular Dynamics Ensemble-Based Approach for the Mapping of Druggable Binding Sites

    Pages 3-12

    Ivetac, Anthony (et al.)

  • Analysis of Protein Binding Sites by Computational Solvent Mapping

    Pages 13-27

    Hall, David R. (et al.)

  • Evolutionary Trace for Prediction and Redesign of Protein Functional Sites

    Pages 29-42

    Wilkins, Angela (et al.)

  • Information Entropic Functions for Molecular Descriptor Profiling

    Pages 43-55

    Wassermann, Anne Mai (et al.)

  • Expanding the Conformational Selection Paradigm in Protein-Ligand Docking

    Pages 59-74

    Kuzu, Guray (et al.)

Buy this book

eBook $149.00
price for USA in USD
  • ISBN 978-1-61779-465-0
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $279.99
price for USA in USD
  • ISBN 978-1-61779-464-3
  • Free shipping for individuals worldwide. COVID-19 shipping restrictions apply.
  • Immediate ebook access, if available*, with your print order
  • Usually ready to be dispatched within 3 to 5 business days.
Softcover $199.00
price for USA in USD
  • ISBN 978-1-4939-6227-3
  • Free shipping for individuals worldwide. COVID-19 shipping restrictions apply.
  • Immediate ebook access, if available*, with your print order
  • Usually ready to be dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Computational Drug Discovery and Design
Editors
  • Riccardo Baron
Series Title
Methods in Molecular Biology
Series Volume
819
Copyright
2012
Publisher
Humana Press
Copyright Holder
Springer Science+Business Media
Distribution Rights
Distribution rights for India: Mehul Book Sales, Mumbai, India
eBook ISBN
978-1-61779-465-0
DOI
10.1007/978-1-61779-465-0
Hardcover ISBN
978-1-61779-464-3
Softcover ISBN
978-1-4939-6227-3
Series ISSN
1064-3745
Edition Number
1
Number of Pages
XVII, 628
Topics

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