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Methods in Molecular Biology

Computational Methods for GPCR Drug Discovery

Editors: Heifetz, Alexander (Ed.)

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  • Includes cutting-edge methods and protocols
  • Provides step-by-step detail essential for reproducible results
  • Contains key notes and implementation advice from the experts
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About this book

This volume looks at modern computational strategies and techniques used in GPCR drug discovery including structure and ligand-based approaches and cheminformatics. The chapters in this book describe how these approaches can be applied to address key drug discovery issues, such as receptor structure modelling, function and dynamics, prediction of protein-water-ligand interactions and binding kinetics, free energy of binding, interconversion between agonists and antagonists, deorphanization of GPCRs, and the discovery of biased and allosteric modulators. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modelling protocols, and tips on troubleshooting and avoiding known pitfalls.

Cutting-edge and unique,Computational Methods for GPCR Drug Discovery is a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.

Table of contents (21 chapters)

Table of contents (21 chapters)
  • Current and Future Challenges in GPCR Drug Discovery

    Pages 1-21

    Topiol, Sid

  • Characterization of Ligand Binding to GPCRs Through Computational Methods

    Pages 23-44

    Vasile, Silvana (et al.)

  • Breakthrough in GPCR Crystallography and Its Impact on Computer-Aided Drug Design

    Pages 45-72

    Ciancetta, Antonella (et al.)

  • A Structural Framework for GPCR Chemogenomics: What’s In a Residue Number?

    Pages 73-113

    Vass, Márton (et al.)

  • GPCR Homology Model Generation for Lead Optimization

    Pages 115-131

    Tautermann, Christofer S.

Buy this book

eBook $139.00
price for USA in USD
  • ISBN 978-1-4939-7465-8
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $179.99
price for USA in USD
  • ISBN 978-1-4939-7464-1
  • Free shipping for individuals worldwide
  • Immediate ebook access, if available*, with your print order
  • Usually dispatched within 3 to 5 business days.
Softcover $179.99
price for USA in USD
  • ISBN 978-1-4939-8494-7
  • Free shipping for individuals worldwide
  • Immediate ebook access, if available*, with your print order
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Computational Methods for GPCR Drug Discovery
Editors
  • Alexander Heifetz
Series Title
Methods in Molecular Biology
Series Volume
1705
Copyright
2018
Publisher
Humana Press
Copyright Holder
Springer Science+Business Media LLC
eBook ISBN
978-1-4939-7465-8
DOI
10.1007/978-1-4939-7465-8
Hardcover ISBN
978-1-4939-7464-1
Softcover ISBN
978-1-4939-8494-7
Series ISSN
1064-3745
Edition Number
1
Number of Pages
XI, 436
Number of Illustrations
9 b/w illustrations, 102 illustrations in colour
Topics

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