Overview
- Includes cutting-edge methods and protocols
- Provides step-by-step detail essential for reproducible results
- Contains key notes and implementation advice from the experts
Part of the book series: Methods in Molecular Biology (MIMB, volume 1705)
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Table of contents (21 protocols)
Keywords
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.
Editors and Affiliations
Bibliographic Information
Book Title: Computational Methods for GPCR Drug Discovery
Editors: Alexander Heifetz
Series Title: Methods in Molecular Biology
DOI: https://doi.org/10.1007/978-1-4939-7465-8
Publisher: Humana New York, NY
eBook Packages: Springer Protocols
Copyright Information: Springer Science+Business Media LLC 2018
Hardcover ISBN: 978-1-4939-7464-1Published: 30 November 2017
Softcover ISBN: 978-1-4939-8494-7Published: 30 August 2018
eBook ISBN: 978-1-4939-7465-8Published: 28 November 2017
Series ISSN: 1064-3745
Series E-ISSN: 1940-6029
Edition Number: 1
Number of Pages: XI, 436
Number of Illustrations: 9 b/w illustrations, 102 illustrations in colour
Topics: Pharmacology/Toxicology