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Chemical Science|March 18, 2020
Adapting free energy perturbation simulations for large macrocyclic ligands: how to dissect contributions from direct binding and free ligand flexibilityKerstin Wallraven, Fredrik L Holmelin, Adrian Glas, et al.Chembiochem : a European Journal of Chemical Biology|September 7, 2016
Constraining an Irregular Peptide Secondary Structure through Ring-Closing Alkyne MetathesisPhilipp M Cromm, Kerstin Wallraven, Adrian Glas, et al.Biochemical Pharmacology|April 1, 2020
Acetylene containing cyclo(L-Tyr-L-Tyr)-analogs as mechanism-based inhibitors of CYP121A1 from Mycobacterium tuberculosisSandra Ortega Ugalde, Kerstin Wallraven, Alexander Speer, et al.Journal of Medicinal Chemistry|October 14, 2017
Structure-Based Design of Non-natural Macrocyclic Peptides That Inhibit Protein-Protein InteractionsDennis M Krüger, Adrian Glas, David Bier, et al.Applied Microbiology and Biotechnology|August 24, 2018
Linking cytochrome P450 enzymes from Mycobacterium tuberculosis to their cognate ferredoxin partnersSandra Ortega Ugalde, Coen P de Koning, Kerstin Wallraven, et al.Angewandte Chemie (International Ed. in English)|August 21, 2024
Structure-Based Design of Bicyclic Helical Peptides That Target the Oncogene β-CateninAlejandro Yeste-Vázquez, Felix M Paulussen, Mathias Wendt, et al.Pageof 1