Chapter 16. Practical Use of Computational Chemistry in Kinase Drug Discovery
- Rongshi Li,
- Jeffrey A. Stafford
Published Online: 28 SEP 2009
DOI: 10.1002/9780470524961.ch16
Copyright © 2009 John Wiley & Sons, Inc.
Book Title
Kinase Inhibitor Drugs
Additional Information
How to Cite
Veal, J. M. (2009) Practical Use of Computational Chemistry in Kinase Drug Discovery, in Kinase Inhibitor Drugs (eds R. Li and J. A. Stafford), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470524961.ch16
Editor Information
Takeda San Diego, Inc., San Diego, CA 92121, USA
Publication History
- Published Online: 28 SEP 2009
- Published Print: 2 OCT 2009
ISBN Information
Print ISBN: 9780470278291
Online ISBN: 9780470524961
- Summary
- Chapter
- References
Keywords:
- computational chemistry in kinase drug discovery;
- focused set of compounds and high-throughput screen (HTS);
- high-throughput docking or restrained docking and lead optimization process
Summary
This chapter contains sections titled:
Introduction
Overview of the Protein Kinase Binding Site and Conformational Variability
Application of Computational Techniques within the Drug Discovery Process
Two Application Examples
Summary
References