Protocol

Olfactory Receptors

Volume 1003 of the series Methods in Molecular Biology pp 53-65

Date:

Molecular Modelling of Odorant/Olfactory Receptor Complexes

  • Landry CharlierAffiliated withInstitut de Chimie de Nice, UMR CNRS, Université de Nice Sophia Antipolis
  • , Jérémie TopinAffiliated withInstitut de Chimie de Nice, UMR CNRS, Université de Nice Sophia Antipolis
  • , Claire A. de MarchAffiliated withInstitut de Chimie de Nice, UMR CNRS, Université de Nice Sophia Antipolis
  • , Peter C. LaiAffiliated withDivision of Research, Department of Genetics, University of Alabama at Birmingham
  • , Chiquito J. CrastoAffiliated withDivision of Research, Department of Genetics, University of Alabama at Birmingham
  • , Jerome GolebiowskiAffiliated withInstitut de Chimie de Nice, UMR CNRS, Université de Nice Sophia Antipolis

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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.

Key words

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