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Programme > Planning

Semaine Lun. 24 Mar. 25 Mer. 26 Jeu. 27 Ven. 28 Liste

lundi 24 juin 2024 ›

12:00

13:00

14:00

15:00

16:00

17:00

18:00

19:00

20:00

21:00

22:00

›12:00 (2h10)

Accueil

12:00 - 14:10 (2h10)

Accueil

Accueil des participants dans le hall de la faculté & pause café entre 13h et 14h10 (forum)

›14:10 (20min)

Ouverture
Organisateurs

› Amphi 250B

14:10 - 14:30 (20min)

Ouverture

Amphi 250B

Organisateurs

›14:30 (1h25)

Session 1A
Sophie Sacquin-Mora

› Amphi 250B

14:30 - 15:55 (1h25)

Session 1A

Amphi 250B

Sophie Sacquin-Mora

› (R)evolution(s) in Molecular Modeling: What Lies Ahead? - Marc Baaden, Laboratoire de biochimie théorique [Paris] 14:30-15:10 (40min)

› Exploring the epigenetic regulation of DNA compaction with all-atom MD simulations - Emmanuelle Bignon, Laboratoire de Physique et Chimie Théoriques 15:10-15:40 (30min)

› Unravelling RNA chemical reactivity: Multiscale simulation and calculation of SHAPE probe/RNA interactions for better insight into experimental results - Cécilia Hognon, Laboratoire Cibles Thérapeutique et Conception du médicament 15:40-15:55 (15min)

›15:55 (30min)

Pause café

› Forum

15:55 - 16:25 (30min)

Pause café

Forum

›16:25 (1h55)

Session 1B
Jana Sopkova

› Amphi 250B

16:25 - 18:20 (1h55)

Session 1B

Amphi 250B

Jana Sopkova

› Absorption in Al13 cluster using Real-Time TDDFT: transitions involving the continuum - Rajarshi Sinha-Roy, Universite Claude Bernard Lyon 1, CNRS, Institut Lumière Matière, UMR5306, F-69100, Villeurbanne, France 16:25-16:55 (30min)

› How does divalent ions content in the outer membrane of Gram-negative bacteria affect its properties? - Timothée Rivel, Central European Institute of Technology [Brno] 16:55-17:10 (15min)

› Molecular Modeling of NOX5 protein: Impact of the Initial Structure and Membrane composition - Baptiste Etcheverry, Institut de Chimie Physique 17:10-17:25 (15min)

› Modeling the effects of photo-activated drugs in a biological membrane model by molecular dynamics simulations - Anastasiia Delova, Université Paris Cité et CNRS, ITODYS 17:25-17:40 (15min)

› Studies of ion channel activation and modulation via computer simulation - Carmen Domene, Department of Chemistry 17:40-18:20 (40min)

›18:20 (20min)

Sponsor SCM

› Amphi 250B

18:20 - 18:40 (20min)

Sponsor SCM

Amphi 250B

› Modeling materials with machine learning potentials, and how to fine-tune them with active learning - Fedor Goumans, Software for Chemistry & Materials, De Boelelaan 1083, 1081 HV Amsterdam 18:20-18:40 (20min)

›18:40 (40min)

AG ThéMoSiA

› Amphi 250B

18:40 - 19:20 (40min)

AG ThéMoSiA

Amphi 250B

›20:00 (2h)

Cocktail de Bienvenue

› Historial Jeanne D'Arc

20:00 - 22:00 (2h)

Cocktail de Bienvenue

Historial Jeanne D'Arc

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