Summer School: From Supramolecular Chemistry to Structural Biology by Multiscale Modelling Methods

Computer simulations have become a valuable tool for expanding our knowledge in many areas. Steadily increasing performance of supercomputers or even desktop computers allows us to simulate bigger systems or achieve higher accuracy employing routine simulations. However, proper predictions can only be obtained if correct models and theoretical approaches are employed. Thus, this course aims to provide essential foundations for performing computer simulations and how to avoid typical errors coming from misunderstanding employed approximations. The lectures will span the vast range of molecular modeling methods addressing problems from supramolecular chemistry to structural biology. The course will be composed of theoretical lectures complemented by practical sessions exercising typical simulation techniques in each discipline. This course is particularly suited for bachelor and masters students who are interested in continuing their studies into a PhD and a career in research.