Overview
- 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
- Includes supplementary material: sn.pub/extras
Part of the book series: Methods in Molecular Biology (MIMB, volume 1289)
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Table of contents (15 protocols)
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Front Matter
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Preparation
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Front Matter
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Simulation
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Front Matter
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Keywords
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.
Editors and Affiliations
Bibliographic Information
Book Title: Fragment-Based Methods in Drug Discovery
Editors: Anthony E. Klon
Series Title: Methods in Molecular Biology
DOI: https://doi.org/10.1007/978-1-4939-2486-8
Publisher: Humana New York, NY
eBook Packages: Springer Protocols
Copyright Information: Springer Science+Business Media New York 2015
Hardcover ISBN: 978-1-4939-2485-1Published: 24 February 2015
Softcover ISBN: 978-1-4939-4614-3Published: 05 October 2016
eBook ISBN: 978-1-4939-2486-8Published: 23 February 2015
Series ISSN: 1064-3745
Series E-ISSN: 1940-6029
Edition Number: 1
Number of Pages: IX, 230
Number of Illustrations: 15 b/w illustrations, 53 illustrations in colour
Topics: Pharmacology/Toxicology