Zobrazeno 1 - 10
of 48
pro vyhledávání: '"Alban, Lepailleur"'
Autor:
Maxime Mistretta, Mena Cimino, Pascal Campagne, Stevenn Volant, Etienne Kornobis, Olivier Hebert, Christophe Rochais, Patrick Dallemagne, Cédric Lecoutey, Camille Tisnerat, Alban Lepailleur, Yann Ayotte, Steven R. LaPlante, Nicolas Gangneux, Monika Záhorszká, Jana Korduláková, Sophie Vichier-Guerre, Frédéric Bonhomme, Laura Pokorny, Marvin Albert, Jean-Yves Tinevez, Giulia Manina
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-22 (2024)
Abstract Drug-recalcitrant infections are a leading global-health concern. Bacterial cells benefit from phenotypic variation, which can suggest effective antimicrobial strategies. However, probing phenotypic variation entails spatiotemporal analysis
Externí odkaz:
https://doaj.org/article/fa9c75f3b4af4a52a3bae94cff9e5192
Autor:
Etienne Lehembre, Johanna Giovannini, Damien Geslin, Alban Lepailleur, Jean-Luc Lamotte, David Auber, Abdelkader Ouali, Bruno Cremilleux, Albrecht Zimmermann, Bertrand Cuissart, Ronan Bureau
Publikováno v:
Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-18 (2023)
Abstract This paper presents a novel approach called Pharmacophore Activity Delta for extracting outstanding pharmacophores from a chemogenomic dataset, with a specific focus on a kinase target known as BCR-ABL. The method involves constructing a Has
Externí odkaz:
https://doaj.org/article/d8b69a94ae2f424a8732b836ea448583
Autor:
Maxime Mistretta, Mena Cimino, Pascal Campagne, Stevenn Volant, Etienne Kornobis, Olivier Hebert, Christophe Rochais, Patrick Dallemagne, Cédric Lecoutey, Camille Tisnerat, Alban Lepailleur, Yann Ayotte, Steven R. LaPlante, Nicolas Gangneux, Monika Záhorszká, Jana Korduláková, Sophie Vichier-Guerre, Frédéric Bonhomme, Laura Pokorny, Marvin Albert, Jean-Yves Tinevez, Giulia Manina
Drug-recalcitrant infections are a leading global-health concern. Bacterial cells benefit from phenotypic variation, which can suggest effective anti-microbial strategies. However, probing phenotypic variation entails spatiotemporal analysis of indiv
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::341d224a1ebe6ec3997b591329728341
https://doi.org/10.1101/2023.03.31.535085
https://doi.org/10.1101/2023.03.31.535085
Autor:
Hajar Rehioui, Bertrand Cuissart, Abdelkader Ouali, Alban Lepailleur, Jean‐Luc Lamotte, Ronan Bureau, Albrecht Zimmermann
Publikováno v:
Molecular informaticsReferences. 42(1)
In this work, we propose to analyze the potential of a new type of pharmacophoric descriptors coupled to a novel feature transformation technique, called Weight-Matrix Learning (WML, based on a feed-forward neural network). The application concerns v
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6e6470f66bdefe72a375bf92a3c7c44c
https://pubmed.ncbi.nlm.nih.gov/36221998
https://pubmed.ncbi.nlm.nih.gov/36221998
Autor:
Damien Geslin, Alban Lepailleur, Jean-Luc Manguin, Nhat-Vinh Vo, Jean-Luc Lamotte, Bertrand Cuissart, Ronan Bureau
Publikováno v:
Journal of chemical information and modeling. 62(3)
This paper introduces a general method that can be used to create groups of pharmacophores to support their further in-depth analysis. A BCR-ABL molecular dataset was used to calculate graph edit distances between pharmacophores and led to their orga
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d92d72e1975b525c44fbadd88050e9f1
https://pubmed.ncbi.nlm.nih.gov/35080879
https://pubmed.ncbi.nlm.nih.gov/35080879
Autor:
Etienne Lehembre, Ronan Bureau, Bruno Cremilleux, Bertrand Cuissart, Jean-Luc Lamotte, Alban Lepailleur, Abdelkader Ouali, Albrecht Zimmermann
Publikováno v:
Lecture Notes in Computer Science ISBN: 9783031013324
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1a04373b6836d78be9f5f63c6f280ec3
https://doi.org/10.1007/978-3-031-01333-1_15
https://doi.org/10.1007/978-3-031-01333-1_15
Autor:
Leander Schietgat, Bertrand Cuissart, Kurt De Grave, Kyriakos Efthymiadis, Ronan Bureau, Bruno Crémilleux, Jan Ramon, Alban Lepailleur
Publikováno v:
Molecular Informatics
Molecular Informatics, In press, ⟨10.1002/minf.202200232⟩
Molecular Informatics, In press, ⟨10.1002/minf.202200232⟩
International audience; Maximum common substructures (MCS) have received a lot of attention in the chemoinformatics community. They are typically used as a similarity measure between molecules, showing high predictive performance when used in classif
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df7853cdb7258c882022508aa4b3db19
https://doi.org/10.1002/minf.202200232
https://doi.org/10.1002/minf.202200232
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 5, Iss 6 (2013)
This mini-review describes the evolution of different algorithms dedicated to the automated discovery of chemical fragments associated to (eco)toxicological endpoints. These structural alerts correspond to one of the most interesting approach of in s
Externí odkaz:
https://doaj.org/article/39df0ce9cc644ceda7b49740469df846
Publikováno v:
Computational and Structural Biotechnology Journal, Vol 5, Iss 6, p e201302013 (2013)
This mini-review describes the evolution of different algorithms dedicated to the automated discovery of chemical fragments associated to (eco)toxicological endpoints. These structural alerts correspond to one of the most interesting approach of in s
Externí odkaz:
https://doaj.org/article/7b9160d0aa324445a624a370301885f7
Publikováno v:
European Journal of Medicinal Chemistry
European Journal of Medicinal Chemistry, Elsevier, 2020, 195, pp.112290-. ⟨10.1016/j.ejmech.2020.112290⟩
European Journal of Medicinal Chemistry, Elsevier, 2020, 195, pp.112290-. ⟨10.1016/j.ejmech.2020.112290⟩
All along the drug development process, one of the most frequent adverse side effects, leading to the failure of drugs, is the cardiac arrhythmias. Such failure is mostly related to the capacity of the drug to inhibit the human ether-a-go-go-related
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::91d7dbd1eeea4ceb0061dd8dd4f73080
https://hal.archives-ouvertes.fr/hal-03490407
https://hal.archives-ouvertes.fr/hal-03490407