Bioinformatics and molecular modelling approaches to GPCR oligomerization

Lisa M. Simpson, Bruck Taddese, Ian D. Wall, Christopher A. Reynolds

Research output: Contribution to journalReview articlepeer-review

56 Citations (Scopus)


The elusive nature of the structure and function of the G-protein coupled receptor (GPCR) dimer or oligomer has led to a variety of computational studies, most of which have been directed primarily towards understanding structure. Here we review some of the recent studies based on sequence analysis and docking experiments and the recent developments in GPCR structure that have underpinned dimerization studies. In addition, we review recent nanosecond molecular dynamics simulations and coarse-grained methods for investigating the dynamic consequences of dimerization. The strengths and weaknesses of these complementary methods are discussed. The consensus of a variety of studies is that several transmembrane helices are involved in the dimerization/oligomerization interface(s); computation has been particularly effective in elucidating the experiments that seem to indicate a key role for transmembrane helix 4.

Original languageEnglish
Pages (from-to)30-37
Number of pages8
JournalCurrent Opinion in Pharmacology
Issue number1
Early online date16 Dec 2009
Publication statusPublished - 1 Feb 2010
Externally publishedYes

ASJC Scopus subject areas

  • Pharmacology
  • Drug Discovery


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