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Accueil > Publications > Recherche par années > Années 2000 > 2007

Samna Soumana, O ; Garnier, N ; Genest, M

Molecular dynamics simulation approach for the prediction of transmembrane helix-helix heterodimers assembly.

European Biophysics Journal, 36, 1071-1082

par Administrateur - publié le , mis à jour le

Abstract :

Computational methods are useful to identify favorable structures of transmembrane (TM) helix oligomers when experimental data are not available or when they cannot help to interpret helix-helix association. We report here a global search method using molecular dynamics (MD) simulations to predict the structures of transmembrane homo and heterodimers. The present approach is based only on sequence information without any experimental data and is first applied to glycophorin A to validate the protocol and to the HER2-HER3 heterodimer receptor.