New machine learning and physics-based scoring functions for drug discovery
Guedes, Isabella A., Barreto, André M. S., Marinho, Diogo, Krempser, Eduardo, Kuenemann, Mélaine A., Sperandio, Olivier, Dardenne, Laurent E., Miteva, Maria A.
Published in Scientific reports (04.02.2021)
Published in Scientific reports (04.02.2021)
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Journal Article
Which Three-Dimensional Characteristics Make Efficient Inhibitors of Protein–Protein Interactions?
Kuenemann, Mélaine A, Bourbon, Laura M. L, Labbé, Céline M, Villoutreix, Bruno O, Sperandio, Olivier
Published in Journal of chemical information and modeling (24.11.2014)
Published in Journal of chemical information and modeling (24.11.2014)
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Journal Article
iPPI-DB: an online database of modulators of protein-protein interactions
Labbé, Céline M, Kuenemann, Mélaine A, Zarzycka, Barbara, Vriend, Gert, Nicolaes, Gerry A F, Lagorce, David, Miteva, Maria A, Villoutreix, Bruno O, Sperandio, Olivier
Published in Nucleic acids research (04.01.2016)
Published in Nucleic acids research (04.01.2016)
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Journal Article
In silico design of low molecular weight protein–protein interaction inhibitors: Overall concept and recent advances
Kuenemann, Mélaine A., Sperandio, Olivier, Labbé, Céline M., Lagorce, David, Miteva, Maria A., Villoutreix, Bruno O.
Published in Progress in biophysics and molecular biology (01.10.2015)
Published in Progress in biophysics and molecular biology (01.10.2015)
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Journal Article
Stabilization of protein–protein interaction complexes through small molecules
Zarzycka, Barbara, Kuenemann, Mélaine A., Miteva, Maria A., Nicolaes, Gerry A.F., Vriend, Gert, Sperandio, Olivier
Published in Drug discovery today (01.01.2016)
Published in Drug discovery today (01.01.2016)
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Journal Article
Identifying individual risk rare variants using protein structure guided local tests (POINT)
Marceau West, Rachel, Lu, Wenbin, Rotroff, Daniel M, Kuenemann, Melaine A, Chang, Sheng-Mao, Wu, Michael C, Wagner, Michael J, Buse, John B, Motsinger-Reif, Alison A, Fourches, Denis, Tzeng, Jung-Ying
Published in PLoS computational biology (01.02.2019)
Published in PLoS computational biology (01.02.2019)
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Journal Article
Drug-Like ProteinProtein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology
Villoutreix, Bruno O., Kuenemann, Melaine A., Poyet, Jean-Luc, Bruzzoni-Giovanelli, Heriberto, Labbé, Céline, Lagorce, David, Sperandio, Olivier, Miteva, Maria A.
Published in Molecular informatics (01.06.2014)
Published in Molecular informatics (01.06.2014)
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Journal Article
Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysis
Kuenemann, Melaine A, Szymczyk, Malgorzata, Chen, Yufei, Sultana, Nadia, Hinks, David, Freeman, Harold S, Williams, Antony J, Fourches, Denis, Vinueza, Nelson R
Published in Chemical science (Cambridge) (01.06.2017)
Published in Chemical science (Cambridge) (01.06.2017)
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Journal Article
Drug-Like ProteinProtein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology
Villoutreix, Bruno O, Kuenemann, Melaine A, Poyet, Jean-Luc, Bruzzoni-Giovanelli, Heriberto, Labbe, Céline, Lagorce, David, Sperandio, Olivier, Miteva, Maria A
Published in Molecular informatics (01.06.2014)
Published in Molecular informatics (01.06.2014)
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Journal Article
Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 1. Database Development and Analysis
Williams, Tova N, Kuenemann, Melaine A, Van Den Driessche, George A, Williams, Antony J, Fourches, Denis, Freeman, Harold S
Published in ACS sustainable chemistry & engineering (05.02.2018)
Published in ACS sustainable chemistry & engineering (05.02.2018)
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Journal Article
An exploration of the 3D chemical space has highlighted a specific shape profile for the compounds intended to inhibit protein-protein interactions
Kuenemann, Mélaine A, Bourbon, Laura ML, Labbé, Céline M, Villoutreix, Bruno O, Sperandio, Olivier
Published in BMC bioinformatics (13.02.2015)
Published in BMC bioinformatics (13.02.2015)
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Weaver's historic accessible collection of synthetic dyes: a cheminformatics analysisThe views expressed in this paper are those of the authors and do not necessarily reflect the views or policies of the US Environmental Protection Agency. Mention of trade names or commercial products does not constitute endorsement or recommendation for use.Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc00567a
Kuenemann, Melaine A, Szymczyk, Malgorzata, Chen, Yufei, Sultana, Nadia, Hinks, David, Freeman, Harold S, Williams, Antony J, Fourches, Denis, Vinueza, Nelson R
Year of Publication 30.05.2017
Year of Publication 30.05.2017
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