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2024Insights from structure-activity relationships and the binding mode of peptidic α-ketoamide inhibitors of the malaria drug target subtilisin-like SUB1., Eur J Med Chem 2024 Apr; 269(): 116308.
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2022A highly sensitive cell-based luciferase assay for high-throughput automated screening of SARS-CoV-2 nsp5/3CLpro inhibitors., Antiviral Res 2022 May; 201(): 105272.
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2015The catalytic domains of Clostridium sordellii lethal toxin and related large clostridial glucosylating toxins specifically recognize the negatively charged phospholipids phosphatidylserine and phosphatidic acid, Cell. Microbiol. 2015 Oct;17(10):1477-93.
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2015Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis, BMC Bioinformatics 2015 Mar;16:93.
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2014An automatic tool to analyze and cluster macromolecular conformations based on self-organizing maps, Bioinformatics 2015 May;31(9):1490-2.
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2014Principal Component Analysis reveals correlation of cavities evolution and functional motions in proteins, J. Mol. Graph. Model. 2015 Feb;55:13-24.
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2014Functional motions modulating VanA ligand binding unraveled by self-organizing maps, J Chem Inf Model 2014 Jan;54(1):289-301.
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2013Identification of cinnamic acid derivatives as novel antagonists of the prokaryotic proton-gated ion channel GLIC, J. Med. Chem. 2013 Jun;56(11):4619-30.
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2013Combined approaches for drug design points the way to novel proline racemase inhibitor candidates to fight Chagas’ disease, PLoS ONE 2013;8(4):e60955.
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2011Mechanism of reactant and product dissociation from the anthrax edema factor: a locally enhanced sampling and steered molecular dynamics study, Proteins 2011 May;79(5):1649-61.
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