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A pharmacological master key mechanism that unlocks the selectivity filter gate in K+ channels.
Schewe M, Sun H, Mert Ü, Mackenzie A, Pike ACW, Schulz F, Constantin C, Vowinkel KS, Conrad LJ, Kiper AK, Gonzalez W, Musinszki M, Tegtmeier M, Pryde DC, Belabed H, Nazare M, de Groot BL, Decher N, Fakler B, Carpenter EP, Tucker SJ, Baukrowitz T. Schewe M, et al. Among authors: sun h. Science. 2019 Feb 22;363(6429):875-880. doi: 10.1126/science.aav0569. Science. 2019. PMID: 30792303 Free PMC article.
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. Among authors: sun h. 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
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