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Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects.
Schindler CEM, Baumann H, Blum A, Böse D, Buchstaller HP, Burgdorf L, Cappel D, Chekler E, Czodrowski P, Dorsch D, Eguida MKI, Follows B, Fuchß T, Grädler U, Gunera J, Johnson T, Jorand Lebrun C, Karra S, Klein M, Knehans T, Koetzner L, Krier M, Leiendecker M, Leuthner B, Li L, Mochalkin I, Musil D, Neagu C, Rippmann F, Schiemann K, Schulz R, Steinbrecher T, Tanzer EM, Unzue Lopez A, Viacava Follis A, Wegener A, Kuhn D. Schindler CEM, et al. Among authors: czodrowski p. J Chem Inf Model. 2020 Nov 23;60(11):5457-5474. doi: 10.1021/acs.jcim.0c00900. Epub 2020 Sep 3. J Chem Inf Model. 2020. PMID: 32813975
Binding Pose Flip Explained via Enthalpic and Entropic Contributions.
Schauperl M, Czodrowski P, Fuchs JE, Huber RG, Waldner BJ, Podewitz M, Kramer C, Liedl KR. Schauperl M, et al. Among authors: czodrowski p. J Chem Inf Model. 2017 Feb 27;57(2):345-354. doi: 10.1021/acs.jcim.6b00483. Epub 2017 Feb 1. J Chem Inf Model. 2017. PMID: 28079371 Free PMC article.
A selective chemical probe for exploring the role of CDK8 and CDK19 in human disease.
Dale T, Clarke PA, Esdar C, Waalboer D, Adeniji-Popoola O, Ortiz-Ruiz MJ, Mallinger A, Samant RS, Czodrowski P, Musil D, Schwarz D, Schneider K, Stubbs M, Ewan K, Fraser E, TePoele R, Court W, Box G, Valenti M, de Haven Brandon A, Gowan S, Rohdich F, Raynaud F, Schneider R, Poeschke O, Blaukat A, Workman P, Schiemann K, Eccles SA, Wienke D, Blagg J. Dale T, et al. Among authors: czodrowski p. Nat Chem Biol. 2015 Dec;11(12):973-980. doi: 10.1038/nchembio.1952. Epub 2015 Oct 26. Nat Chem Biol. 2015. PMID: 26502155 Free PMC article.
Discovery of potent and selective CDK8 inhibitors from an HSP90 pharmacophore.
Schiemann K, Mallinger A, Wienke D, Esdar C, Poeschke O, Busch M, Rohdich F, Eccles SA, Schneider R, Raynaud FI, Czodrowski P, Musil D, Schwarz D, Urbahns K, Blagg J. Schiemann K, et al. Among authors: czodrowski p. Bioorg Med Chem Lett. 2016 Mar 1;26(5):1443-51. doi: 10.1016/j.bmcl.2016.01.062. Epub 2016 Jan 22. Bioorg Med Chem Lett. 2016. PMID: 26852363
Structure of the epimerization domain of tyrocidine synthetase A.
Samel SA, Czodrowski P, Essen LO. Samel SA, et al. Among authors: czodrowski p. Acta Crystallogr D Biol Crystallogr. 2014 May;70(Pt 5):1442-52. doi: 10.1107/S1399004714004398. Epub 2014 Apr 30. Acta Crystallogr D Biol Crystallogr. 2014. PMID: 24816112
Picomolar FKBP inhibitors enabled by a single water-displacing methyl group in bicyclic [4.3.1] aza-amides.
Kolos JM, Pomplun S, Jung S, Rieß B, Purder PL, Voll AM, Merz S, Gnatzy M, Geiger TM, Quist-Løkken I, Jatzlau J, Knaus P, Holien T, Bracher A, Meyners C, Czodrowski P, Krewald V, Hausch F. Kolos JM, et al. Among authors: czodrowski p. Chem Sci. 2021 Nov 3;12(44):14758-14765. doi: 10.1039/d1sc04638a. eCollection 2021 Nov 17. Chem Sci. 2021. PMID: 34820091 Free PMC article.
Computational approaches to predict drug metabolism.
Czodrowski P, Kriegl JM, Scheuerer S, Fox T. Czodrowski P, et al. Expert Opin Drug Metab Toxicol. 2009 Jan;5(1):15-27. doi: 10.1517/17425250802568009. Expert Opin Drug Metab Toxicol. 2009. PMID: 19236226 Review.
299 results