Methods in Molecular Biology

Fragment-Based Methods in Drug Discovery

Editors: Klon, Anthony E. (Ed.)

  • Includes cutting-edge methods and examples of successful fragment-based drug design
  • Provides step-by-step detail essential for reproducible results
  • Features implementation tips from the experts
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eBook $89.00
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  • ISBN 978-1-4939-2486-8
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Hardcover $119.00
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About this book

This volume covers the techniques necessary for a successful fragment-based drug design project, beginning from defining the problem in terms of preparing the protein model, identifying potential binding sites, and the consideration of various candidate fragments for simulation. The second part discusses the technical aspects that various methods have used to simulate fragment binding to a target protein by using Monte Carlo, molecular dynamics, and docking algorithms. After simulations, fragments are assembled into molecules using a variety of approaches, which are explored next. A discussion of design strategies and consideration of drug-like properties is included as part of the design process at this stage. Finally, several examples of successful fragment-based drug design projects are presented. Written for the Methods in Molecular Biology series, this work contains the kind of detailed description and implementation advice to encourage success in the lab.

Practical and cutting-edge, Fragment-Based Methods in Drug Discovery takes into account the great accomplishments in the field to provide an ideal guide for researchers continuing to investigate this exciting area of pharmacological study.

Table of contents (15 chapters)

  • Solvation Methods for Protein–Ligand Docking

    Bienstock, Rachelle J.

    Pages 3-12

  • Binding Site Druggability Assessment in Fragment-Based Drug Design

    Zhou, Yu (et al.)

    Pages 13-21

  • Generating “Fragment-Based Virtual Library” Using Pocket Similarity Search of Ligand–Receptor Complexes

    Khashan, Raed S.

    Pages 23-29

  • Virtual Fragment Preparation for Computational Fragment-Based Drug Design

    Ludington, Jennifer L.

    Pages 31-41

  • Fragment Library Design: Using Cheminformatics and Expert Chemists to Fill Gaps in Existing Fragment Libraries

    Kutchukian, Peter S. (et al.)

    Pages 43-53

Buy this book

eBook $89.00
price for USA (gross)
  • ISBN 978-1-4939-2486-8
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $119.00
price for USA
  • ISBN 978-1-4939-2485-1
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $119.00
price for USA
  • ISBN 978-1-4939-4614-3
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Fragment-Based Methods in Drug Discovery
Editors
  • Anthony E. Klon
Series Title
Methods in Molecular Biology
Series Volume
1289
Copyright
2015
Publisher
Humana Press
Copyright Holder
Springer Science+Business Media New York
eBook ISBN
978-1-4939-2486-8
DOI
10.1007/978-1-4939-2486-8
Hardcover ISBN
978-1-4939-2485-1
Softcover ISBN
978-1-4939-4614-3
Series ISSN
1064-3745
Edition Number
1
Number of Pages
IX, 230
Number of Illustrations and Tables
15 b/w illustrations, 53 illustrations in colour
Topics