Rational drug design

Rational drug design (4 credits)
Dr. Daniela Rossi
Aims and contents. This two-days course is concerned with enabling students to molecular modeling techniques useful for the rational design of biologically active molecules (Computer Aided Drug Design – CADD).
The course focus on both ligand-based (QSAR, pharmacophore modeling) and structure-based (molecular docking, homology modeling and virtual screening) drug design methodologies. Additionally, in silico prediction of ADMET properties is considered. The course is composed by theoretical lessons (2CFU) combined with  hand-on section (2CFU).