The G protein-coupled receptor (GPCR) superfamily consists of numerous closely related membrane proteins that respond to a variety of stimuli ranging from small particles to large molecules. The consequent initiation of several different biological processes makes these receptors the most targeted group of proteins for the development of therapeutic drugs. Advances in structural, biochemical, and biophysical analyses of GPCRs offer a unique opportunity to improve dynamic molecular models of these receptors. This chapter highlights results from the application of several computational approaches to GPCRs toward a better understanding of the molecular mechanisms underlying their diverse functions.

Original languageEnglish
Title of host publicationComprehensive Biophysics
PublisherElsevier Inc.
Number of pages26
ISBN (Print)9780080957180
StatePublished - 2012


  • Activation
  • Coarse-grained simulations
  • Computational methods
  • Dynamics
  • GPCRs
  • Homology modeling
  • Membrane protein
  • Molecular dynamics
  • Oligomerization
  • Sampling algorithms


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