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09:00 - 09:45
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Enzymes as therapeutic targets - Conférence Plénière / Plenary Conference |
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| 09:00 - 09:45 |
› Enzymes as target class for approved drugs The case of secretory phospholipase A2 (sPLA2) family of proteins as novel therapeutic targets - Dominique DOUGUET |
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09:45 - 10:00
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Flash #4 / Posters 27-35 - N. FLOQUET, C. GAGEAT, S. GRUDININ, M. KATAVA, Y. LAURIN, G. LEROUX, C. MAROT, I. MEREU, D. MIAS-LUCQUIN |
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10:00 - 10:45
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Enzymes as therapeutic targets - 3 présentations / 3 talks |
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| 10:00 - 10:15 |
› Développement d'antibactériens dirigés contre la ThyX de Mycobacterium tuberculosis - Kamel DJAOUT |
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| 10:15 - 10:30 |
› Molecular dynamics study of ligand recognition by DXR: implications for the design of new antibiotic compounds - Fanny KREBS |
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| 10:30 - 10:45 |
› Discovery of Oligopyridyl scaffold molecules as potent Mcl-1 inhibitors - Jana SOPKOVA-DE OLIVEIRA SANTOS |
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10:45 - 11:15
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Coffee break - Coffee break |
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11:15 - 11:30
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Flash #5 / Posters 36-45 - A-E. MOLZA, D. MONET, M. NG FUK CHONG, M-K. NGUYEN, J. REBEHMED, N. RENAULT, E. SELWA, D. STRATMANN, T. TUBIANA, S. WIENINGER |
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11:30 - 12:15
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Enzymes as therapeutic targets - 3 présentations / 3 talks |
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| 11:30 - 11:45 |
› Into the intimacy of an irreversible inhibition: SMD(QM/MM) simulations of the fibroblast growth factor receptor-1 (FGFR1) kinase domain. - Florent BARBAULT |
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| 11:45 - 12:00 |
› PatchSearch: a fast method for flexible recognition of protein binding sites - Inès RASOLOHERY |
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| 12:00 - 12:15 |
› PockDrug-Server: a new web server for predicting pocket druggability on holo and apo proteins - Hiba ABI HUSSEIN |
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12:15 - 12:30
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Poster award GT Enzymes |
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12:30 - 14:00
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Lunch and departure GT Enzymes - Lunch and departure GT Enzymes |
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14:00 - 14:45
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Dynamics - function relationships - Conférence Plénière / Plenary Conference |
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| 14:00 - 14:45 |
› Combining molecular dynamics and Markov state modelling to understand ligand transport in enzymes - Jochen BLUMBERGER |
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14:45 - 15:45
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Dynamics - function relationships - 4 présentations / 4 talks |
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| 14:45 - 15:00 |
› Structural dynamics of the retinoid X receptor ligand binding domain by accelerated molecular dynamics - Jérôme EBERHARDT |
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| 15:00 - 15:15 |
› Turning glycoside hydrolases into transglycosidases: an experimental and theoretical study of the internal water dynamics in the Thermus thermophilus β-glycosidase - Benoît DAVID |
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| 15:15 - 15:30 |
› Description théorique d'un phénomène de "substrate channeling" dans la biosynthèse des flavonoïdes. - Julien DIHARCE |
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| 15:30 - 15:45 |
› L'allostérie dynamique de la protéine CAP révélée par les forces inter-atomiques - Maxime LOUET |
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15:45 - 16:00
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Game presentation - "The expert is in the room"
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16:00 - 16:30
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Coffee break - Coffee break |
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16:30 - 17:30
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Dynamics - function relationships - 4 présentations / 4 talks |
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| 16:30 - 16:45 |
› Assessing the crowding of Membrane Proteins at the Mesoscale - Matthieu CHAVENT |
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| 16:45 - 17:00 |
› New way to fight against antibiotic resistance: reconstruction of a three-component efflux pump - Kaouther BEN OUIRANE |
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| 17:00 - 17:15 |
› 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 |
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| 17:15 - 17:30 |
› Tinker-HP : Dynamique moléculaire polarisable haute performance - Christophe NARTH |
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17:30 - 18:00
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GGMM General Assembly - Bureau GGMM |
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18:00 - 19:00
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Local wine and cheese - Local products degustation |
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18:00 - 19:30
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Poster session GGMM |
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19:30 - 21:00
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Dinner - Dinner |
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21:00 - 22:00
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The expert is in the room |
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