Computational study of ligand-receptor binding process using enhanced molecular dynamics simulations
A. Braka
,
Samia Aci-Seche
,
S. Bourg
,
Norbert Garnier
,
Pascal Bonnet
et al.
21st European Symposium on Quantitative Structure-Activity Relationship , Sep 2016, Vérone, Italy
Conference poster
hal-02919149v1
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An original class of small sized molecules as versatile fluorescent probes for cellular imaging
Doina Sirbu
,
Julien Diharce
,
Ivana Martinić
,
Nicolas Chopin
,
Svetlana Eliseeva
et al.
Journal articles
hal-02373125v1
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Synthesis of novel series of 7,7 '-(substituted methylene) bis-imidazo 1,2-b pyrazoles via an acid catalyzed one-pot three-component reaction
Mohsine Driowya
,
Hassan Allouchi
,
Jose Manuel Gally
,
Pascal Bonnet
,
Gérald Guillaumet
et al.
Journal articles
hal-02620165v1
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Structure-based design of novel quinoxaline-2-carboxylic acids and analogues as Pim-1 inhibitors
Bruno Oyallon
,
Marie Brachet-Botineau
,
Cédric Logé
,
Pascal Bonnet
,
Mohamed Souab
et al.
Journal articles
hal-03408667v1
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Enhanced molecular dynamics methods applied to drug design projects
Sonia Ziada
,
Abdennour Braka
,
Julien Diharce
,
Samia Aci-Seche
,
Pascal Bonnet
et al.
Journal articles
hal-01966502v1
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LIM kinases: new therapeutic targets to treat Neurofibromatosis type I
Béatrice Vallée
,
Michel Doudeau
,
Fabienne Godin
,
Anthony Champiré
,
Karen Plé
et al.
The 7th EMBO meeting , Sep 2016, Mannheim, Germany.
Conference poster
hal-02453490v1
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Conception of DYRK1A kinase inhibitors via metal-catalyzed C-H arylation, inspired by fragment-growing studies
Florence Couly
,
Julien Diharce
,
Pascal Bonnet
,
Meijer Laurent
,
Corinne Fruit
et al.
International Electronic Conference on Medicinal Chemistry (ECMC, 4, 2018) , Jean-Jacques Vanden Eynde (coord.), Nov 2018, [online], Belgium.
⟨10.3390/ecmc-4-05580⟩
Conference papers
hal-02383907v1
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Specific inhibition of DNMT1/CFP1 reduces cancer phenotypes and enhances chemotherapy effectiveness
Pierre-Francois Cartron
,
Mathilde Cheray
,
Arulraj Nadaradjane
,
Pascal Bonnet
,
Sylvain Routier
et al.
Journal articles
inserm-02478615v1
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Digital technology and agroecology: opportunities to explore, challenges to overcome
Véronique Bellon Maurel
,
Pascal Bonnet
,
Isabelle Piot-Lepetit
,
Ludovic Brossard
,
Pierre P. Labarthe
et al.
Agriculture and Digital Technology: Getting the most out of digital technology to contribute to the transition to sustainable agriculture and food systems , 6,
INRIA , pp.76-97, 2022, White book INRIA, 978-2-7261-1310-3
Book sections
hal-03606035v2
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Development of small molecule inhibitors of LIM kinases, new therapeutic targets to treat Neurofibromatosis type I
Béatrice Vallée
,
A. Cosson
,
M. Doudeau
,
F. Godin
,
A. Champiré
et al.
Joint Global Neurofibromatosis Conference 2018 , Nov 2018, Paris, France
Conference poster
hal-02924077v1
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Synthesis of dihydropyrimidine α,γ-diketobutanoic acid derivatives targeting HIV integrase
Ozkan Sari
,
Vincent Roy
,
Mathieu Métifiot
,
Christophe Marchand
,
Yves Pommier
et al.
Journal articles
hal-02904762v1
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Advanced molecular dynamics simulation methods for kinase drug discovery
Samia Aci-Seche
,
Sonia Ziada
,
Abdennour Braka
,
Rohit Arora
,
Pascal Bonnet
et al.
Journal articles
hal-02494426v1
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Accompagnement scientifique en amont, sur un lieu ressources et en aval d'un séjour scientifique
Maryvonne Priolet
,
Pascal Bonnet
L'élève, le maître et le scientifique : science et technologie en partage. Colloque national , ASTEP, 2007, Nantes, France
Conference papers
hal-02488155v1
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VSPrep: A KNIME workflow for the preparation of molecular databases for virtual screening
Jose-Manuel Gally
,
Stéphane Bourg
,
Jade Fogha
,
Quoc-Tuan Do
,
Samia Aci-Sèche
et al.
Journal articles
hal-02387324v1
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Développement de petites molécules inhibitrices des LIM kinases, nouvelles cibles thérapeutiques pour lutter contre le cancer, les maladies neurologiques et la neurofibromatose
Béatrice Vallée
,
Karen Plé
,
A. Cosson
,
M. Doudeau
,
F. Godin
et al.
Journée Fédération CBM-ICOA , Jan 2018, Orléans, France
Conference papers
hal-02928530v1
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Comparative Assessment of Protein Kinase Inhibitors in Public Databases and in PKIDB
Colin Bournez
,
Fabrice Carles
,
Gautier Peyrat
,
Samia Aci-Seche
,
Stéphane Bourg
et al.
Journal articles
hal-02904776v1
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Vers une agriculture numérique en Afrique : enjeux et perspectives
Pascal Bonnet
,
Mathieu Roche
,
Hélène Kirchner
Journal articles
hal-03102041v2
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Design, Synthesis and SAR in 2,4,7-Trisubstituted Pyrido[3,2-d]Pyrimidine Series as Novel PI3K/mTOR Inhibitors
Frédéric Buron
,
Nuno Rodrigues
,
Thibault Saurat
,
Marie-Aude Hiebel
,
Stéphane Bourg
et al.
Journal articles
hal-03348966v1
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LIM Kinases: new anticancer therapeutic targets
Béatrice Vallée
,
A. Cosson
,
M. Doudeau
,
F. Godin
,
Anthony Champiré
et al.
Breast Cancer Symposium , Jun 2017, Nantes, France
Conference poster
hal-03680148v1
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30th Franco-Belgian conference of pharmacochemistry
Charlotte Bouckaert
,
Eric Goffin
,
Sebastien Dilly
,
Julien Hanson
,
Lionel Pochet
et al.
Journal articles
hal-02141338v1
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Estimation of Drug-Target Residence Time by Targeted Molecular Dynamics Simulations
Sonia Ziada
,
Julien Diharce
,
Eric Raimbaud
,
Samia Aci-Sèche
,
Pierre Ducrot
et al.
Journal articles
hal-03855904v1
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Design and biological evaluation of substituted 5,7-dihydro-6 H -indolo[2,3- c ]quinolin-6-one as novel selective Haspin inhibitors
Sreenivas Avula
,
Xudan Peng
,
Xingfen Lang
,
Micky Tortorella
,
Béatrice Josselin
et al.
Journal articles
hal-03818922v1
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Fr-PPIChem: An Academic Compound Library Dedicated to Protein-Protein Interactions
Nicolas Bosc
,
Christophe Muller
,
Laurent Hoffer
,
David Lagorce
,
Stéphane Bourg
et al.
Journal articles
hal-02569625v1
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In silico peptide ligation: Iterative Residue Docking and Linking as a new approach to predict protein-peptide interactions
Julien Diharce
,
Mickaël Cueto
,
Massimiliano Beltramo
,
Vincent Aucagne
,
Pascal Bonnet
et al.
Journal articles
hal-03525312v1
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VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening
José-Manuel Gally
,
Stéphane Bourg
,
Quoc-Tuan Do
,
Samia Aci-Seche
,
Pascal Bonnet
et al.
Journal articles
hal-02904764v1
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PrePeP – A Tool for the Identification and Characterization of Pan Assay Interference Compounds
Maksim Koptelov
,
Albrecht Zimmermann
,
Pascal Bonnet
,
Ronan Bureau
,
Bruno Crémilleux
et al.
24th ACM SIGKDD International Conference on Knowledge Discovery & Data Mining , Aug 2018, Londres, United Kingdom. pp.462-471,
⟨10.1145/3219819.3219849⟩
Conference papers
hal-01939468v1
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Numérique et agroécologie
Véronique Bellon Maurel
,
Pascal Bonnet
,
Isabelle Piot-Lepetit
,
Ludovic Brossard
,
Pierre P. Labarthe
et al.
Agriculture et numérique : Tirer le meilleur du numérique pour contribuer à la transition vers des agricultures et des systèmes alimentaires durables , 4,
INRIA , pp.83-105, 2022, Livre blanc INRIA, 978-2-7261-1310-3
Book sections
hal-03654106v1
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Identification of a new series of flavopiridol-like structures as kinase inhibitors with high cytotoxic potency
Nada Ibrahim
,
Pascal Bonnet
,
Jean-Daniel Brion
,
Jean-François Peyrat
,
Jerome Bignon
et al.
Journal articles
hal-03036489v1
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Cinchona-based zwitterionic stationary phases: Exploring retention and enantioseparation mechanisms in supercritical fluid chromatography with a fragmentation approach
Adrien Raimbault
,
Cam Mai Anh Ma
,
Martina Ferri
,
Stefanie Bäurer
,
Pascal Bonnet
et al.
Journal articles
hal-02904771v1
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OneARK: Strengthening the links between animal production science and animal ecology
Delphine Destoumieux-Garzón
,
Pascal Bonnet
,
Céline Teplitsky
,
François Criscuolo
,
Pierre-Yves Henry
et al.
2020
Preprints, Working Papers, ...
hal-02172445v3
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