Biomolecular simulation. EMBO Practical Course

Molecular simulation techniques have never been as accessible and as valuable to biologists as to-day. The EMBO practical course will give an overview of state of the art molecular simulation methods used for analysis and prediction of bio-molecular structure, dynamics, and function.

The focus will be on methods providing atomic detail, such as quantum mechanics, molecular mechanics/dynamics and Brownian dynamics, permitting simulations on different temporal and spatial scales. In addition, the course will provide an introduction to protein homology modeling, macromolecular electrostatics, protein-ligand docking, structure-based drug design, data fitting to obtain macromolecular structures, as well as programming techniques.