Search for contacts, projects,
courses and publications

Computational Biology and Drug Design


Limongelli V.

Course director


The course provides knowledge to deal with calculations of biological interest. Principles of biology and chemistry are delivered together with a deep understanding of the methods used to compute chemico/physical properties of molecules such as organic and peptidic ligands, proteins and nucleic acids. Standard and advanced computational techniques are described in details and many applications illustrated. Molecular dynamics, free-energy calculations are some examples. Great attention is dedicated to the application of these methods in drug design through rational approaches and more automated protocols.


Basic knowledge of chemistry Basic knowledge of biology and pharmacology Good knowledge of structure-based drug design Good knowledge of molecular simulations in pharmacology (drug/molecular target interaction)

Teaching mode

In presence

Learning methods

Teaching method: Frontal lectures + tutorial sessions

Examination information

The course will be evaluated through assignments and a final project