1. Structural Biology and NMR Laboratory & The Linderstrøm-Lang Centre for Protein Science, Department of Biology, University of Copenhagen, Copenhagen DK-2200, Denmark
2. Department of Chemistry, Division of Computational Chemistry, Lund University, Lund SE-221 00, Sweden
3. The Hartree Centre, Science and Technology Facilities Council (STFC) Daresbury Laboratory, Warrington WA4 4AD, United Kingdom
4. Advanced Drug Delivery, Pharmaceutical Sciences, BioPharmaceuticals Research and Development, AstraZeneca, Gothenburg, Mölndal 431 83, Sweden
5. Medicinal Chemistry, Early Respiratory & Immunology, BioPharmaceuticals Research and Development, AstraZeneca, Gothenburg, Mölndal 431 83, Sweden
6. Data Science and Modelling, Pharmaceutical Sciences, BioPharmaceuticals Research and Development, AstraZeneca, Gothenburg, Mölndal 431 83, Sweden