With the constant development of biomolecular modelling and simulation techniques and the parallel increase in available computational power, modelling plays an important role in studying, understanding and predicting the structure, function and (inter)action of proteins and other biomolecules. The next AIMMS post-graduate course Practical Course in Biomolecular Modelling focuses on this topic.
The course primarily targets PhD students and postdocs who experimentally study biomolecular structure and action (or who recently entered the modelling field), and who would like to learn theory, possibilities and use of modelling and simulation. The course will cover theoretical background and application of molecular dynamics (MD) simulation techniques and free energy calculations, and special topics include protein-ligand binding affinity prediction, advanced and multi-resolution MD, comparison with experiment, and structure refinement.
