Molecular modelling of odorant/olfactory receptor complexes

Landry Charlier, Jérémie Topin, Claire A. De March, Peter C. Lai, Chiquito J. Crasto, Jerome Golebiowski

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

11 Scopus citations

Abstract

Providing a rationale that associates a chemical structure of an odorant to its induced perception has been sought for a long time. To achieve this, a detailed atomic structure of both the odorant and the olfactory receptor must be known. State-of-the-art techniques to model the 3D structure of an olfactory receptor in complex with various odorants are presented here. These range from sequence alignment with known structures to molecular dynamics simulations in a realistic environment.

Original languageEnglish
Title of host publicationProteomics for Biomarker Discovery
Subtitle of host publicationMethods and Protocols
PublisherHumana Press Inc.
Pages53-65
Number of pages13
ISBN (Print)9781627033763
DOIs
StatePublished - 2013

Publication series

NameMethods in Molecular Biology
Volume1003
ISSN (Print)1064-3745

Keywords

  • 3D-structure
  • Docking
  • GPCR
  • Homology
  • MM-GBSA
  • Molecular modelling
  • Olfactory receptor

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