› Enzymes as target class for approved drugs The case of secretory phospholipase A2 (sPLA2) family of proteins as novel therapeutic targets - Dominique DOUGUET
09:00-09:45 (45min)
› Into the intimacy of an irreversible inhibition: SMD(QM/MM) simulations of the fibroblast growth factor receptor-1 (FGFR1) kinase domain. - Florent BARBAULT
11:30-11:45 (15min)
› PatchSearch: a fast method for flexible recognition of protein binding sites - Inès RASOLOHERY
11:45-12:00 (15min)
› PockDrug-Server: a new web server for predicting pocket druggability on holo and apo proteins - Hiba ABI HUSSEIN
12:00-12:15 (15min)
› Structural dynamics of the retinoid X receptor ligand binding domain by accelerated molecular dynamics - Jérôme EBERHARDT
14:45-15:00 (15min)
› Turning glycoside hydrolases into transglycosidases: an experimental and theoretical study of the internal water dynamics in the Thermus thermophilus β-glycosidase - Benoît DAVID
15:00-15:15 (15min)
› Description théorique d'un phénomène de "substrate channeling" dans la biosynthèse des flavonoïdes. - Julien DIHARCE
15:15-15:30 (15min)
› L'allostérie dynamique de la protéine CAP révélée par les forces inter-atomiques - Maxime LOUET
15:30-15:45 (15min)
› Assessing the crowding of Membrane Proteins at the Mesoscale - Matthieu CHAVENT
16:30-16:45 (15min)
› New way to fight against antibiotic resistance: reconstruction of a three-component efflux pump - Kaouther BEN OUIRANE
16:45-17:00 (15min)
› Étude de l'assemblage des protéines membranaires par simulation de dynamique moléculaire à gros grains et méthodes de Forces de Biais Adaptatif. - Jean-Pierre DUNEAU
17:00-17:15 (15min)