Computational studies of G protein-coupled receptor complexes: Structure and dynamics. Academic Article uri icon

Overview

abstract

  • G protein-coupled receptors (GPCRs) are ubiquitously expressed transmembrane proteins associated with a wide range of diseases such as Alzheimer's, Parkinson, schizophrenia, and also implicated in in several abnormal heart conditions. As such, this family of receptors is regarded as excellent drug targets. However, due to the high number of intracellular signaling partners, these receptors have a complex interaction networks and it becomes challenging to modulate their function. Experimentally determined structures give detailed information on the salient structural properties of these signaling complexes but they are far away from providing mechanistic insights into the underlying process. This chapter presents some of the computational tools, namely molecular dynamics, molecular docking, and molecular modeling and related analyses methods that have been used to complement experimental findings.

publication date

  • September 4, 2017

Research

keywords

  • Cell Membrane
  • Models, Molecular
  • Molecular Docking Simulation
  • Molecular Dynamics Simulation
  • Receptors, G-Protein-Coupled

Identity

Scopus Document Identifier

  • 85028669985

Digital Object Identifier (DOI)

  • 10.1016/bs.mcb.2017.07.011

PubMed ID

  • 28964337

Additional Document Info

volume

  • 142