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Hélène Guillemain - Publications

Affiliations: 
Paris, CNAM 
Area:
Virtual screening, Docking, 3D similarity, Evaluation metrics, Predictiveness curve, Ensemble docking, TNFα
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7 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2017 Lagarde N, Delahaye S, Jérémie A, Ben Nasr N, Guillemain H, Empereur-Mot C, Laville V, Labib T, Réau M, Langenfeld F, Zagury JF, Montes M. Discriminating Agonist from Antagonist Ligands of the Nuclear Receptors Using Different Chemoinformatics Approaches. Molecular Informatics. PMID 28671755 DOI: 10.1002/Minf.201700020  0.727
2017 Mouhsine H, Guillemain H, Moreau G, Fourati N, Zerrouki C, Baron B, Desallais L, Gizzi P, Ben Nasr N, Perrier J, Ratsimandresy R, Spadoni JL, Do H, England P, Montes M, et al. Identification of an in vivo orally active dual-binding protein-protein interaction inhibitor targeting TNFα through combined in silico/in vitro/in vivo screening. Scientific Reports. 7: 3424. PMID 28611375 DOI: 10.1038/S41598-017-03427-Z  0.499
2015 Empereur-Mot C, Guillemain H, Latouche A, Zagury JF, Viallon V, Montes M. Predictiveness curves in virtual screening. Journal of Cheminformatics. 7: 52. PMID 26539250 DOI: 10.1186/S13321-015-0100-8  0.563
2014 Lagarde N, Ben Nasr N, Jérémie A, Guillemain H, Laville V, Labib T, Zagury JF, Montes M. NRLiSt BDB, the manually curated nuclear receptors ligands and structures benchmarking database. Journal of Medicinal Chemistry. 57: 3117-25. PMID 24666037 DOI: 10.1021/Jm500132P  0.734
2013 Ben Nasr N, Guillemain H, Lagarde N, Zagury JF, Montes M. Multiple structures for virtual ligand screening: defining binding site properties-based criteria to optimize the selection of the query. Journal of Chemical Information and Modeling. 53: 293-311. PMID 23312043 DOI: 10.1021/Ci3004557  0.741
2010 Giganti D, Guillemain H, Spadoni JL, Nilges M, Zagury JF, Montes M. Comparative evaluation of 3D virtual ligand screening methods: Impact of the molecular alignment on enrichment Journal of Chemical Information and Modeling. 50: 992-1004. PMID 20527883 DOI: 10.1021/Ci900507G  0.642
2009 Clerc SL, Limou S, Coulonges C, Carpentier W, Dina C, Taing L, Delaneau O, Labib T, Sladek R, Group AG, Deveau C, Guillemain H, Ratsimandresy R, Montes M, Spadoni JL, et al. Genomewide Association Study of a Rapid Progression Cohort Identifies New Susceptibility Alleles for AIDS (ANRS Genomewide Association Study 03) Journal of Infectious Diseases. 200: 1194-1201. PMID 19754311 DOI: 10.1086/605892  0.587
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