Chapter title |
Modeling the Structural Communication in Supramolecular Complexes Involving GPCRs.
|
---|---|
Chapter number | 18 |
Book title |
Membrane Protein Structure and Dynamics
|
Published in |
Methods in molecular biology, September 2012
|
DOI | 10.1007/978-1-62703-023-6_18 |
Pubmed ID | |
Book ISBNs |
978-1-62703-022-9, 978-1-62703-023-6
|
Authors |
Fanelli F, Francesca Fanelli |
Abstract |
This article describes a computational strategy aimed at studying the structural communication in G-Protein Coupled Receptors (GPCRs) and G proteins. The strategy relies on comparative Molecular Dynamics (MD) simulations and analyses of wild-type (i.e., reference state) vs. mutated (i.e., perturbed state), or free (i.e., reference state) vs. bound (i.e., perturbed state) forms of a GPCR or a G protein. Bound forms of a GPCR include complexes with small ligands and/or receptor dimers/oligomers, whereas bound forms of heterotrimeric GDP-bound G proteins concern the complex with a GPCR. The computational strategy includes structure prediction of a receptor monomer (in the absence of high-resolution structure), a receptor dimer/oligomer, and a receptor-G protein complex, which constitute the inputs of MD simulations. Finally, the analyses of the MD trajectories are instrumental in inferring the structural/dynamics differences between reference and perturbed states of a GPCR or a G protein. In this respect, focus will be put on the analysis of protein structure networks and communication paths. |
X Demographics
Geographical breakdown
Country | Count | As % |
---|---|---|
Unknown | 1 | 100% |
Demographic breakdown
Type | Count | As % |
---|---|---|
Members of the public | 1 | 100% |
Mendeley readers
Geographical breakdown
Country | Count | As % |
---|---|---|
Unknown | 3 | 100% |
Demographic breakdown
Readers by professional status | Count | As % |
---|---|---|
Student > Ph. D. Student | 2 | 67% |
Student > Master | 1 | 33% |
Readers by discipline | Count | As % |
---|---|---|
Agricultural and Biological Sciences | 1 | 33% |
Chemistry | 1 | 33% |
Engineering | 1 | 33% |