Are you curious about how scientists design small molecules to treat disease using computational tools, but the words RDKit, docking, and QED mean nothing to you? Look no further than these tutorials for learning the fundamentals of computational small molecule drug design through interactive tutorials that introduce the key tools, concepts, and workflows. From generating compounds to evaluating their drug-likeness and binding potential, by the end you’ll be ready to explore how computational methods can result in the discovery of your very own (virtual) drug candidates to cure Zika!

Find the materials here: https://github.com/oxpig/dtc-struc-bio-smolecules/tree/main.