G Protein-Coupled Receptors - Modeling and Simulation

Part I. Progress in Structural Modeling of GPCRs

1. The GPCR Crystallography Boom: Providing an Invaluable Source of Structural Information and Expanding the Scope of Homology Modeling
Stefano Costanzi, Keyun Wang

2. Modeling of G Protein-Coupled Receptors Using Crystal Structures: From Monomers to Signaling Complexes
Angel Gonzalez, Arnau Cordomí, Minos Matsoukas, Julian Zachmann, Leonardo Pardo

Part II. GPCRs in Motion: Insights from Simulations

3. Structure and Dynamics of G-Protein Coupled Receptors
Nagarajan Vaidehi, Supriyo Bhattacharya, Adrien B. Larsen

4. How the Dynamic Properties and Functional Mechanisms of GPCRs Are Modulated by Their Coupling to the Membrane Environment
Sayan Mondal, George Khelashvili, Niklaus Johner, Harel Weinstein

5. Coarse-Grained Molecular Dynamics Provides Insight into the Interactions of Lipids and Cholesterol with Rhodopsin
Joshua N. Horn, Ta-Chun Kao, Alan Grossfield

6. Beyond Standard Molecular Dynamics: Investigating the Molecular Mechanisms of G Protein-Coupled Receptors with Enhanced Molecular Dynamics Methods
Jennifer M. Johnston, Marta Filizola

Part III. GPCR-Focused Rational Design and Mathematical Modeling

7. From Three-Dimensional GPCR Structure to Rational Ligand Discovery
Albert J. Kooistra, Rob Leurs, Iwan J. P. Esch, Chris Graaf

8. Mathematical Modeling of G Protein-Coupled Receptor Function: What Can We Learn from Empirical and Mechanistic Models?
David Roche, Debora Gil, Jesús Giraldo

Part IV. Bioinformatics Tools and Resources for GPCRs

9. GPCR & Company: Databases and Servers for GPCRs and Interacting Partners
Noga Kowalsman, Masha Y. Niv

10. Bioinformatics Tools for Predicting GPCR Gene Functions
Makiko Suwa

Nyckelord: Life Sciences, Protein Structure, Gene Function, Physiological, Cellular and Medical Topics