JACQUIN-JOLY , Emmanuelle

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In this article we report calculations dedicated to estimate the selectivity of the Bombyx mori pheromone binding protein towards the two closely related pheromonal components Bombykol and Bombykal. The selectivity is quantified by the binding free-energy difference, obtained either by the thermodynamic integration or by the MM-GBSA approach....

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Protéger les cultures par des moyens naturels est une nécessité pour la transition vers une agriculture respectueuse de l'environnement. Un effort de recherche et développement sans précédent est aujourd'hui mis en œuvre dans le domaine du biocontrôle, qui rassemble des approches basées sur l'usage d'organismes vivants et de produits d'origine...

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Odorant receptors (ORs) are main actors of the insects peripheral olfactory system, making them prime targets for pest control through olfactory disruption. Traditional methods employed in the context of chemical ecology for identifying OR ligands rely on analyzing compounds present in the insect's environment or screening molecules with...

Odorant receptors expressed at the peripheral olfactory organs are key proteins for animal volatile sensing. Although they determine the odor space of a given species, their functional characterization is a long process and remains limited. To date, machine learning virtual screening has been used to predict new ligands for such receptors in...

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