معلومات المساق

The course will give a general overview of  modelling and simulation techniques of importance to chemical and pharmaceutical Sciences. It is organised around frontal lectures, flipped classes, and practical work.

-       Introduction to molecular dynamics simulations and their use in drug design, biophysics, and chemistry.

-       Introduction to free energy calculations.  The algorithms will be applied to compute the binding free energy of ligands to their pharmacological targets.