Dr Jóhannes Reynisson
Johannes’s research interests lie within the field of drug discovery with a focus on computer-aided drug design (CADD). The methods applied are molecular modelling, structure-based virtual screening and density functional theory (DFT). He invented the concept of Known Drug Space, which can be used to navigate chemical space for quality drug candidates. Most of the projects worked on relate to anticancer drug discovery such as the development of Tyrosyl-DNA phosphodiesterase I (TDP1) inhibitors and heat shock protein 90 (HSP90) modulators. Other disease states are also worked on, e.g., antifungal and antiparasitic drug development.