This is an interdisciplnary school placed in the boundaries between Chemistry and Biochemistry, or more especificaly in the boundaries between Computational Chemistry and Biochemistry. The goal is to train the students in those theories and models that can be used to describe complex molecular systems by computational simulations. The subject of these simulations can be proteins, nucleic acids, membranes, carbohydrates but also all the small molecules that could interact with these entities (solvents, ions, drugs,...).The computational simulation of biological systems plays an essential role in a variety of areas, including fundamental studies of biological function and applications in biomedicine and biotechnology. Because biological processes span multiple time and space scales, biosimulations involve a variety of approaches ranging from accurate quantum chemical studies involving a reduced number of atoms to coarse grain approaches that allow simulating millions of atoms in the millisecond timescale. Indeed, often multiple descriptions are combined in so-called multiscale approaches. [1]

This school is focused on advanced training in the field of computational biochemistry, with particular emphasis on the applications to the study of biological processes related with human diseases at the molecular level and the development of efficient drugs. The current pandemic situation has stressed the importance of biocomputation as an efficient strategy to guide research efforts in the development of knowledge-based treatments. For this reason practical lessons will be focused on the application of bioinformatic tools to the study of SARS-CoV-2 enzymes, their function and inhibition. [2,3]

The school will be open to European master and PhD students and postdocs with interest in the simulation of biosystems, and corresponds to the level of graduate students from physical and life sciences. We will specially encourage students of the European Master in Theoretical Chemistry and Computational Modelling (EMTCCM) to attend the school, thus reinforcing the contacts among different European initiatives.