Molecular Modelling of Odorant/Olfactory Receptor Complexes

  • Landry Charlier
  • Jérémie Topin
  • Claire A. de March
  • Peter C. Lai
  • Chiquito J. Crasto
  • Jerome Golebiowski
Part of the Methods in Molecular Biology book series (MIMB, volume 1003)


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 



The CINES is acknowledged for providing computer time for the project cmi1024.


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Copyright information

© Springer Science+Business Media, LLC 2013

Authors and Affiliations

  • Landry Charlier
    • 1
  • Jérémie Topin
    • 1
  • Claire A. de March
    • 1
  • Peter C. Lai
    • 2
  • Chiquito J. Crasto
    • 2
  • Jerome Golebiowski
    • 1
  1. 1.Institut de Chimie de Nice, UMR CNRSUniversité de Nice Sophia AntipolisNiceFrance
  2. 2.Division of Research, Department of GeneticsUniversity of Alabama at BirminghamBirminghamUSA

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