Description :
Students will learn the basics of molecular modelling, and the computational techniques used to represent, simulate, and analyze the structures, properties, and behaviors of molecules. The course combines principles from chemistry, physics, and computer science to predict how molecules are modelled to predict their interaction, properties, and reactivity under different conditions. Key components such as molecular representation, energy minimization, molecular mechanics (MM), quantum mechanics (QM), molecular docking are presented.
Objectifs de formation :
Give the students knowledge of the main principles, techniques and applications of molecular modeling techniques in modern day chemistry.
- Enseignant·e: Fabio Zobi