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À propos de : Molecular Dynamics Simulation of the LOV2 Domain from Adiantum capillus-veneris        

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  • Molecular Dynamics Simulation of the LOV2 Domain from Adiantum capillus-veneris
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  • The mechanism for signal transduction from the LOV-domains toward the kinase region of phototropin isstill not well understood. We have performed molecular dynamics (MD) simulations and CONCOORDcalculations on the LOV2 domain of Adiantum capillus-veneris, with the goal to detect possible differencesbetween the two forms of the LOV domain which may not show up in the static crystal structures. Since nosuch clear differences are found in the MD simulations also, we suggest that the real, biologically activeconformation of the LOV domain within the whole phototropin is different from the crystal structure of theisolated LOV domains. The MD simulations do offer, however, insight into details of the dynamics of thedark and illuminated LOV domains, which are discussed in the light of recent experiments.
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