- Docente: Latifa ELANTAK
- Docente: Marie line GARRON
- Docente: Helene LAUNAY
- Docente: Carole BAFFERT
- Docente: Myriam BRUGNA
- Docente: Sebastien DEMENTIN
- Docente: Emilien ETIENNE
- Docente: Elsa GARCIN
- Docente: Stephane GRIMALDI
- Docente: Marlene MARTINHO
- Docente: Eric PILET
A set of seminars on current topics in Biochemistry.
- Docente: James STURGIS
Dynamics of target and drugs (6 H CM) :
How to encompass the entropic part of protein - drugs interactions ?
Overview on thermodynamics (1:30)
Evaluation of Entropy; from score functions to molecular simulations (1:30)
Overview on Integrated path molecular simulations and integration of artificial intelligence (3h CM)
TD : 6 X 3 H (Jupiter notebooks, modelling programs, and Virtual reality -VR- handling)
TD n°1 Exploring molecular flexibility (Gromacs, jupyter notebooks, and VR)
TD n°2 Structural Analysis of Target Drug interactions (ChimeraX and VR)
TD n°3 IA for docking and drug evaluation (Alphafold, and other IA based Jupyter notebooks)
TD n°4 Structure Based Drug Design (Molecular Docking, MOE)
TD n°5 Structure Based Drug Design (Pharmacophore Filtering, MOE)
TD n°6 Seeing Structure Activity relationship (SeeSAR)
How to encompass the entropic part of protein - drugs interactions ?
Overview on thermodynamics (1:30)
Evaluation of Entropy; from score functions to molecular simulations (1:30)
Overview on Integrated path molecular simulations and integration of artificial intelligence (3h CM)
TD : 6 X 3 H (Jupiter notebooks, modelling programs, and Virtual reality -VR- handling)
TD n°1 Exploring molecular flexibility (Gromacs, jupyter notebooks, and VR)
TD n°2 Structural Analysis of Target Drug interactions (ChimeraX and VR)
TD n°3 IA for docking and drug evaluation (Alphafold, and other IA based Jupyter notebooks)
TD n°4 Structure Based Drug Design (Molecular Docking, MOE)
TD n°5 Structure Based Drug Design (Pharmacophore Filtering, MOE)
TD n°6 Seeing Structure Activity relationship (SeeSAR)
- Docente: Stephane BETZI
- Docente: Jean pierre DUNEAU
- Docente: Elsa GARCIN
- Docente: Philippe ROCHE