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Page 1
Simultaneous determination of thermodynamic and kinetic data by isothermal titration calorimetry.
Biochim Biophys Acta Gen Subj. 2021 Feb;1865(2):129772. doi: 10.1016/j.bbagen.2020.129772. Epub 2020 Oct 22.
Biochim Biophys Acta Gen Subj. 2021.
PMID: 33191201
High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits.
Schiebel J, Krimmer SG, Röwer K, Knörlein A, Wang X, Park AY, Stieler M, Ehrmann FR, Fu K, Radeva N, Krug M, Huschmann FU, Glöckner S, Weiss MS, Mueller U, Klebe G, Heine A.
Schiebel J, et al. Among authors: glockner s.
Structure. 2016 Aug 2;24(8):1398-1409. doi: 10.1016/j.str.2016.06.010. Epub 2016 Jul 21.
Structure. 2016.
PMID: 27452405
Free article.
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Frag4Lead: growing crystallographic fragment hits by catalog using fragment-guided template docking.
Metz A, Wollenhaupt J, Glöckner S, Messini N, Huber S, Barthel T, Merabet A, Gerber HD, Heine A, Klebe G, Weiss MS.
Metz A, et al. Among authors: glockner s.
Acta Crystallogr D Struct Biol. 2021 Sep 1;77(Pt 9):1168-1182. doi: 10.1107/S2059798321008196. Epub 2021 Aug 23.
Acta Crystallogr D Struct Biol. 2021.
PMID: 34473087
Free PMC article.
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A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Glöckner S, Heine A, Klebe G.
Glöckner S, et al.
Biomolecules. 2020 Mar 29;10(4):518. doi: 10.3390/biom10040518.
Biomolecules. 2020.
PMID: 32235320
Free PMC article.
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Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors.
Glöckner S, Ngo K, Sager CP, Hüfner-Wulsdorf T, Heine A, Klebe G.
Glöckner S, et al.
ACS Chem Biol. 2020 Mar 20;15(3):675-685. doi: 10.1021/acschembio.9b00895. Epub 2020 Feb 19.
ACS Chem Biol. 2020.
PMID: 32027480
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The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Glöckner S, Ngo K, Wagner B, Heine A, Klebe G.
Glöckner S, et al.
Biomolecules. 2020 Mar 27;10(4):509. doi: 10.3390/biom10040509.
Biomolecules. 2020.
PMID: 32230853
Free PMC article.
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The rapid synthesis of oxazolines and their heterogeneous oxidation to oxazoles under flow conditions.
Glöckner S, Tran DN, Ingham RJ, Fenner S, Wilson ZE, Battilocchio C, Ley SV.
Glöckner S, et al.
Org Biomol Chem. 2015 Jan 7;13(1):207-14. doi: 10.1039/c4ob02105c.
Org Biomol Chem. 2015.
PMID: 25370905
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