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What is computational chemistry? At first glance, it looks like a video game, with rules based on physics and mathematics, and molecules and atoms as building blocks. But this “virtual science” is not a fantasy world – on the contrary: computational chemistry helps understanding nature’s most interesting phenomena on the level of atoms.

By using digital tools, computational chemists help discovering new materials and medicinal drugs. At the interdisciplinary Cluster of Excellence “UniSysCat“, scientists artificially modify biological systems, such as enzymes, to obtain energy from hydrogen and to build enzymatic batteries, known as biofuel cells. Also with the help of computational methods, they have tried to uncover some of the causes of mutation of the spike protein of coronavirus. Learn more about this innovative science from scientist Jovan Dragelj – and join him on a molecular journey!

 

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