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(Person in charge: A-C Camproux)
Structure-based screening (3 ECTS)
(Persons in charge: G. Moroy)
Program :
The objective of this course is to present advanced theoretical concepts, algorithms and associated programs for the design of therapeutic molecules by approaches based on the structure of the target protein. Taking into account the flexibility of the protein and the ligand. How to dock with covalent bonds?
Molecular dynamics stability study of the protein-ligand interaction.
Presentation and use of several docking and virtual screening programs.
Autodock & Rdock, seed (fragment-based), a therapeutic target screening using @TOME-3
Targeted skills :
Understand and master some bioinformatics tools that help in the design of therapeutic molecules based on the structure of the target protein.
The objective of this course is to present advanced theoretical concepts, algorithms and associated programs for the design of therapeutic molecules by approaches based on the structure of the target protein. Taking into account the flexibility of the protein and the ligand. How to dock with covalent bonds?
Molecular dynamics stability study of the protein-ligand interaction.
Presentation and use of several docking and virtual screening programs.
Autodock & Rdock, seed (fragment-based), a therapeutic target screening using @TOME-3
Targeted skills :
Understand and master some bioinformatics tools that help in the design of therapeutic molecules based on the structure of the target protein.