Chapter 16. Docking and Scoring for Structure-based Drug Design
- Prof. Dr. Thomas Lengauer
Published Online: 5 FEB 2008
DOI: 10.1002/9783527619368.ch16
Copyright © 2007 WILEY-VCH Verlag GmbH & Co. KGaA
Book Title
Bioinformatics - From Genomes to Therapies
Additional Information
How to Cite
Rarey, M., Degen, J. and Reulecke, I. (2008) Docking and Scoring for Structure-based Drug Design, in Bioinformatics - From Genomes to Therapies (ed T. Lengauer), Wiley-VCH Verlag GmbH, Weinheim, Germany. doi: 10.1002/9783527619368.ch16
Editor Information
Max-Planck-Institute for Informatics, Stuhlsatzenhausweg 85, 66123 Saarbrücken, Germany
Publication History
- Published Online: 5 FEB 2008
- Published Print: 11 JAN 2007
ISBN Information
Print ISBN: 9783527312788
Online ISBN: 9783527619368
- Summary
- Chapter
- References
Keywords:
- docking;
- elucidation;
- resonance;
- protonation;
- toxicity
Summary
This chapter contains sections titled:
Introduction
Scoring Protein-Ligand Complexes
Methods for Protein-Ligand Docking
Structure-based Virtual Screening
From Molecules to Fragment Spaces: Structure-based De Novo Design
Structure-based Drug Design at Work: Validation Studies and Applications
Concluding Remarks
References