33. Ertelt, M.; Meiler, J.; Schoeder, C.T. Combining Rosetta sequence design with protein language model predictions using Evolutionary Scale Modeling (ESM) as restraint. ACS Synth. Biol. 2024, (accepted article). 32. Moeller, J.; Bozhanova, N.; Voehler, Markus; Meiler, J.; Schoeder, C.T. Backbone chemical shift and secondary structure assignments for mouse siderocalin. Biomol. NMR Assign. 2024, 31. Ertelt, M.; Mulligan, V.K.; Maguire, J.B.; Lyskov, S.; Moretti, R.; Schiffner, T.; Meiler, J.; Schoeder, C.T. Combining machine learning with structure-based protein design to predict and engineer post-translational modifications of proteins, PLoS Comp. Biol. 2024, 20:e1011939.30. Chiyyeadu, A.; Asgedom, G.; Bruhn, M.; Rocha C.; Schlegel, T.U.; Neumann, T.; Galla, M.; Vollmer-Barbosa, P.; Hoffmann, M.; Ehrhard, K.; Ha, T.C.; Morgan M.; Schoeder, C.T.; Pöhlmann, S.; Kalinke, U.; Schambach A. A tetravalent bispecific antibody outperforms the combination of its parental antibodies and neutralizes diverse SARS-CoV-2 variants. Clin. Immun. 2024, 260:109902.


29.   Bentler, M.; Hardet, R.; Ertelt, M.; Rudolf, D.; Kaniowska, D.; Schneider, A., Vondran, F.W.R.; Schoeder, C.T.; Delphin, M.; Lucifora, J., Ott, M.; Hacker, U.T.; Adriouch, S.; Büning, H. Modifying immune responses to adeno-associated virus vectors by capsid engineering. Mol. Ther. Methods Clin. Dev. 2023, 30, 576-592.28. Junker, H.; Meiler,J.; Schoeder, C.T. Interplay of thermodynamics and evolution within the ternary ligand-GPCR-G protein complex. Curr. Opin. Struct. Biol. 2023, 82, 102656.27. Woods, H.; Schiano, D.L.; Aguirre, J.L.; Ledwitch, K.V.; McDonald, E.F.; Voehler, M.; Meiler, J., Schoeder, C.T. Computational modeling and prediction of deletion mutants. Structure 2023, 31, 1-11.26. Mahardhika, A.B.; Ressemann, A.; Kremers, S.; Castanheira, M.S.G.; Schoeder, C.T.; Müller, C.E.; Pillaiyar, T. Design, synthesis, and structure-activity relationships of diindolylmethane derivatives as cannabinoid CB2 receptor agonists. Arch. Pharm. 2023, 56, 2200493. 25. Meumann, N.; Cabanes-Creus, M.; Ertelt, M.; Navarro, R.G.; Lucifora, J.; Yuan, Q.; Huber, K.; Abdelrahman, A.; Zhang, L.A.; Franke, A.C.; Schmithals, C.; Piiper, A.; Vogt, A.; Gonzalez-Carmona, M.; Frueh, J.-T.; Ullrich, E.; Meuleman, P.; Talbot, S.T.; Odenthal, M.; Ott, M.; Seifried, E.; Schoeder, C.T.; Schwäble, J.; Lisowski, L.; Büning, H. Adeno-associated virus (AAV) serotype 2 capsid variants for improved liver-directed gene therapy. Hepatology 2023, 77, 802-815. 


24. Minh, T.H., Schoeder, C.T.; Schey, K.L; Meiler, J. Computational structure prediction for antibody-antigen complexes from hydrogen-deuterium exchange mass spectrometry: Challenges and Outlook. Front. Immunol. 2022, 13, 859964.23. Schoeder, C.T.; Gilchuk, P.; Sangha, A.K.; Ledwitch, K.V.; Malherbe, D.C.; Zhang, X.; Binshtein, E.; Williamson, L.; Martina, C.E.; Dong, J.; Armstrong, E.; Sutton, R.; Nargi, R.; Rodriguez, J.; Kuzmina, N.; Fiala, B.; King, N.P.; Bukreyev, A.; Crowe, J.E. Jr.; Meiler J. Epitope-focused immunogen design based on the ebolavirus glycoprotein HR2-MPER region. PLOS Pathogens 2022, e1010518.22. McDonald, E.; Woods, H.; Smith, S.T.; Kim, M.; Schoeder, C.T.; Plate, L.; Meiler, J. Structural comparative modeling of multi-domain ΔF508 CFTR. Biomolecules 2022, 12, 471.


21.   Williamson, L.E.; Reeder, K.M.; Bailey, K.; Tran, M.H.; Roy, V.; Fouch, M.E.; Kose, N.; Trivette, A.; Nargi, R.S.; Winkler, E.S.; Kim, A.S; Gainza, C.; Rodriguez, J.; Armstrong, E.; Sutton, R.; Reidy, J.; Carnahan, R.H.; McDonald, H.; Schoeder, C.T.; Klimstra, W.B.; Davidson, E.; Doranz, B.J.; Alter, G.; Meiler, J.; Schey, K.; Julander, J.G.; Diamond, M.S.; Crowe, J.E., Jr. Therapeutic alphavirus cross-reactive E1 human antibodies inhibit viral egress. Cell 2021, 184, 4430–4446.20.   Elsebai, M.; Schoeder, C.T.; Müller, C.E. Fintiamin: A diketopiperazine from the marine spongederived fungus Eurotium sp. Arch. Pharm. 2021, e2100206.19.   Fischer, T.F.; Czerniak, A.S.; Weiß, T.; Schoeder, C.T.; Wolf, P.; Seitz, O.; Meiler, J.; Beck-Sickinger A.G. Ligand-binding and -scavenging of the chemerin receptor GPR1. Cell Mol. Life Sci. 2021, 78, 6265-6281.18.   Kodali, P.; Schoeder C.T., Schmitz, S., Crowe J.E. Jr.; Meiler J. RosettaCM for antibodies with very long HCDR3s and low template availability. Proteins 2021, 1:15.17.   Gershkovich, M.M.; Groß, V.E.; Vu, O.; Schoeder, C.T.; Meiler, J.; Prömel, S.; Kaiser, A. Structural perspective on ancient neuropeptide Y-like system reveals hallmark features for peptide recognition and receptor activation. J. Mol. Bio. 2021, 433, 166992.16.   Fischer, T.F.; Schoeder, C.T.; Zellmann, T.; Stichel, J.; Meiler, J.; Beck-Sickinger, A.G. Cyclic analogs of the chemerin C-terminus mimic a loop conformation essential for activating the chemokine-like receptor 1. J. Med. Chem. 2021, 64, 3048−3058.15.   Schoeder, C.T.; Schmitz., S.; Adolf-Bryfogle, J.; Sevy, A.M.; Finn, J.A.; Sauer, M.F.; Bozhanova, N.B.; Mueller, B.K.; Sangha, A.K.; Bonet, J.; Sheehan, J.H.; Kuenze, G.; Marlow, B.; Smith, S.T.; Woods, H.; Bender, B.J.; Martina, C.E.; del Alamo, D.; Kodali, P.; Gulsevin, A.; Schief, W.R.; Correia, B.E.; Crowe, J.E., Jr.; Meiler, J.; Moretti, R. Modeling immunity with Rosetta: Methods for antibody and antigen design. Biochemistry 2021, 60, 825−846.


14.   Alexander, M.R.; Schoeder, C.T.; Brown, J.A.; Smart, C.D.; Moth, C.; Wikswo, J.P.; Capra, J.A.; Meiler, J.; Chen, W.; Madhur, M.S. Predicting susceptibility to SARS-CoV-2 infection based on structural differences in ACE2 across species. FASEB J. 2020, 34, 15946–15960.13.   Sinatra, L.; Bandolik, J.; Roatsch, M.; Sönnichsen, M.; Schoeder, C.T.; Hamacher, A.; Schöler, A.; Meiler, J.; Bhatia, S.; Kassack, M.; Hansen, F.K. Hydroxamic acids immobilized on resins (HAIRs): A toolbox for the synthesis of functionalized HDAC inhibitors and HDAC degraders (PROTACs). Angew. Chem. Int. Ed. Engl. 2020, 59, 1-7.12.   Schoeder, C.T.; Mahardhika, A.B.; Drabczyńska, A.; Kieć-Kononowicz, K.; Müller, C.E. Discovery of tricyclic xanthines as agonists of the cannabinoid-activated orphan G protein-coupled receptor GPR18. ACS Med.Chem. Lett. 2020, 11, 2024–2031.11.   Neumann, A.; Engel, V.; Maharadhika, A.B.; Schoeder, C.T.; Namasivayam, V.; Kieć-Kononowicz, K.; Müller, C.E. Computational investigations on the binding mode of ligands for the cannabinoid-activated G protein-coupled receptor GPR18. Biomolecules 2020, 10, 686.


10.   Bennett, M.R.; Dong, J.; Bombardi, R.G.; Soto, C.; Parrington, H.; Nargi, R.S.; Schoeder, C.T.; Nagel, M.B.; Schey, K.L.; Meiler, J.; Skaar, E.P.; Crowe, J.E. Jr. Human VH1-69 gene-encoded human mAbs against Staphylococcus aureus IsdB use at least three distinct modes of binding to inhibit bacterial growth and pathogenesis. MBio. 2019, 5, doi: 10.1128/mBio.02473-19.9.     Schoeder, C.T.; Meyer, A.; Mahardhika, A.B.; Thimm, D.; Blaschke, T.; Funke, M.; Müller, C.E. Development of chromen-4-one derivatives as (ant)agonists for the lipid-activated G protein-coupled receptor GPR55 with tunable efficacy. ACS Omega. 2019, 4, 4276–4295.


8.     Reyes-Resina, I.; Navarro, G.; Aguinaga, D.; Canela, E.; Schoeder, C.T.; Załuski, M.; Kieć-Kononowicz, K.; Saura, C.A.; Müller, C.E.; Franco, R. Molecular and functional interaction between GPR18 and cannabinoid CB2 G-protein-coupled receptors. Relevance in neurodegenerative diseases. Biochem. Pharmacol. 2018, 157, 169-179.7.     Schoeder, C.T.; Kaleta, M.; Mahardhika, A.; Olejarz, A.; Lazewska, D.; Kieć-Kononowicz, K.; Müller, C.E. Structure-activity relationships of imidazothiazinones as antagonists of the cannabinoid-activated orphan G protein-coupled receptor GPR18. Eur. J. Med. Chem. 2018, 155, 381-397.6.     Schoeder, C.T.; Hess, C.; Madea, B.; Meiler, J.; Müller C. E. Pharmacological evaluation of new constituents of "SPICE" - synthetic cannabinoids based on indole, indazole, benzimidazole and carbazole scaffolds. Forensic. Toxicol. 2018, 36, 385-403.


5.     Angerer, V.; Mogler, L.; Steitz, J.; Bisel, P.; Hess, C.; Schoeder, C.T.; Müller, C. E.; Huppertz, L.; Westphal, F.; Schäper, J.; Auwärter, V. Structural characterization and pharmacological evaluation of the new synthetic cannabinoid ’Cumyl-PEGACLONE’ Drug Test. Anal. 2017, doi: 10.1002/dta.2237.


4.     Flegel, C.; Vogel, F.; Hofreuter, A.; Wojcik, S.; Schoeder, C.; Kiec-Kononowicz, K.; Brockmeyer, N.; Müller, C. E.; Becker, C.; Altmüller, J.; Hatt, H.; Gisselmann, G. Characterization of non-olfactory GPCRs in human sperm with a focus on GPR18. Sci. Rep. 2016, 6, 32255.3.     Hess, C.; Schoeder, C.T.; Pillaiyar, T.; Madea, B.; Müller, C. E. Pharmacological evaluation of synthetic cannabinoids identified as constituents of spice. Forensic Toxicol. 2016, 34, 329-343.


2.     Rempel, V.; Atzler, K.; Behrenswert, A.; Karcz, T.; Schoeder, C.T.; Hinz, S.; Kaleta, M.; Thimm, D.; Kieć-Kononowicz, K.; Müller, C. E. Bicyclic imidazole-4-one derivatives: a new class of antagonists for the orphan G protein-coupled receptors GPR18 and GPR55. Med. Chem. Commun. 2014, 5, 632-649.1.     Fuchs, A.; Baur, R.; Schoeder, C.; Sigel, E.; Müller, C. E. Structural analogues of the natural products magnolol and honokiol as potent allosteric potentiators of GABAA receptors. Bioorg. Med. Chem. 2014, 22, 6908-6917.



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