Modelling of GPCRs A Practical Handbook /

• Main Authors: Strasser, Andrea (Author), Wittmann, Hans-Joachim (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic eBook
• Language: English
• Published: Dordrecht : Springer Netherlands : Imprint: Springer, 2013.
• Subjects: Medicine.; Medicinal chemistry.; Computer simulation.; Bioinformatics.; Computational biology.; Biomedicine.; Biomedicine general.; Computational Biology/Bioinformatics.; Computer Appl. in Life Sciences.; Simulation and Modeling.; Medicinal Chemistry.

G protein coupled receptors (GPCRs) comprise an important protein family, which is involved in signal transduction in the cell. Besides that a large number of drugs, available on market, address GPCRs. For an efficient and improved development of appropriate drugs, molecular modelling of GPCRs is –...

Table of Contents:

• Preface
• 1. Introduction
• 2. G Protein Coupled Receptors
• 3. Sequence alignment and homology modelling
• 4. Construction of ligands
• 5. Lipids
• 6. Minimization and molecular dynamics.- 7. Calculation of Gibbs energy of salvation
• 8. Special topics in GPCR research
• 9. Force fields
• 10. Thermodynamics of ligand-receptor interaction
• 11. Important LINUX commands
• Literature
• Appendix
• Index.