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Small-molecule modulators of TRMT2A decrease PolyQ aggregation and PolyQ-induced cell death.
Comput Struct Biotechnol J. 2021 Dec 28;20:443-458. doi: 10.1016/j.csbj.2021.12.029. eCollection 2022.
Comput Struct Biotechnol J. 2021.
PMID: 35070167
Free PMC article.
The Conorfamide RPRFa Stabilizes the Open Conformation of Acid-Sensing Ion Channel 3 via the Nonproton Ligand-Sensing Domain.
Reiners M, Margreiter MA, Oslender-Bujotzek A, Rossetti G, Gründer S, Schmidt A.
Reiners M, et al. Among authors: margreiter ma.
Mol Pharmacol. 2018 Oct;94(4):1114-1124. doi: 10.1124/mol.118.112375. Epub 2018 Jul 16.
Mol Pharmacol. 2018.
PMID: 30012583
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Dynorphin Neuropeptides Decrease Apparent Proton Affinity of ASIC1a by Occluding the Acidic Pocket.
Leisle L, Margreiter M, Ortega-Ramírez A, Cleuvers E, Bachmann M, Rossetti G, Gründer S.
Leisle L, et al.
J Med Chem. 2021 Sep 23;64(18):13299-13311. doi: 10.1021/acs.jmedchem.1c00447. Epub 2021 Aug 30.
J Med Chem. 2021.
PMID: 34461722
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Heteroaromatic π-stacking energy landscapes.
Huber RG, Margreiter MA, Fuchs JE, von Grafenstein S, Tautermann CS, Liedl KR, Fox T.
Huber RG, et al. Among authors: margreiter ma.
J Chem Inf Model. 2014 May 27;54(5):1371-9. doi: 10.1021/ci500183u. Epub 2014 May 9.
J Chem Inf Model. 2014.
PMID: 24773380
Free PMC article.
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Cleavage entropy as quantitative measure of protease specificity.
Fuchs JE, von Grafenstein S, Huber RG, Margreiter MA, Spitzer GM, Wallnoefer HG, Liedl KR.
Fuchs JE, et al. Among authors: margreiter ma.
PLoS Comput Biol. 2013 Apr;9(4):e1003007. doi: 10.1371/journal.pcbi.1003007. Epub 2013 Apr 18.
PLoS Comput Biol. 2013.
PMID: 23637583
Free PMC article.
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