Computational methods in medicinal chemistry

Code 370CC
Credits 3

Learning outcomes

The course aims to provide students with the knowledge on computational methods used to simulate and predict phenomena of the pharmaceutical domain. In particular, students will be able to use: molecular mechanics and dynamics for the simulation of chemical interactions and their temporal evolution; docking for simulating drug-target binding; pharmacophoric models to guide drug design; QSAR and QSPR for the prediction of new unknown data.