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Probing Factor Xa Protein-Ligand Interactions: Accurate Free Energy Calculations and Experimental Validations of Two Series of High-Affinity Ligands.
Fernández-Bachiller MI, Hwang S, Schembri ME, Lindemann P, Guberman M, Herziger S, Specker E, Matter H, Will DW, Czech J, Wagner M, Bauer A, Schreuder H, Ritter K, Urmann M, Wehner V, Sun H, Nazaré M. Fernández-Bachiller MI, et al. J Med Chem. 2022 Oct 13;65(19):13013-13028. doi: 10.1021/acs.jmedchem.2c00865. Epub 2022 Sep 30. J Med Chem. 2022. PMID: 36178213
Syntheses of defined sulfated oligohyaluronans reveal structural effects, diversity and thermodynamics of GAG-protein binding.
Köhling S, Blaszkiewicz J, Ruiz-Gómez G, Fernández-Bachiller MI, Lemmnitzer K, Panitz N, Beck-Sickinger AG, Schiller J, Pisabarro MT, Rademann J. Köhling S, et al. Among authors: fernandez bachiller mi. Chem Sci. 2018 Nov 1;10(3):866-878. doi: 10.1039/c8sc03649g. eCollection 2019 Jan 21. Chem Sci. 2018. PMID: 30774881 Free PMC article.
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