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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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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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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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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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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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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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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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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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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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Synthesis and optimization of an original V-shaped collection of 4-7-disubstituted Pyrido[3,2-d]pyrimidines as CDK5 and DYRK1A inhibitors
Oussama Dehbi
,
Abdellatif Tikad
,
Stéphane Bourg
,
Pascal Bonnet
,
Olivier Lozach
et al.
Journal articles
hal-02904758v1
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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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Palladium‐Catalyzed Regioselective C−H Arylation of 4‐Azaindazole at C3, C5 and C7 Positions
Soukaina Faarasse
,
Saïd El Kazzouli
,
Otmane Bourzikat
,
Stéphane Bourg
,
Samia Aci-Seche
et al.
Journal articles
hal-03416452v1
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Advances in tetrahydropyrido[1,2-a]isoindolone (valmerins) series: Potent glycogen synthase kinase 3 and cyclin dependent kinase 5 inhibitors.
Rajâa Boulahjar
,
Aziz Ouach
,
Stéphane Bourg
,
Pascal Bonnet
,
Olivier Lozach
et al.
Journal articles
hal-01212495v1
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Residence Time Prediction of Type 1 and 2 Kinase Inhibitors from Unbinding Simulations
Abdennour Braka
,
Norbert Garnier
,
Pascal Bonnet
,
Samia Aci-Seche
Journal articles
hal-02494409v1
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Neurofibromatosis type I: from basic to applied research
Béatrice Vallée
,
A. Cosson
,
M. Doudeau
,
F Godin
,
A. Braka
et al.
4th LIA Workshop, Jun 2017, Cracovie, Poland
Conference papers
hal-02928517v1
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4-(7H-Pyrrolo[2,3-D]pyrimidin-4-yl)-3,6-dihydropyridine-(2H)-carboxamide derivatives as Limk and/or Rock kinases inhibitors for use in the treatment of cancer
Sylvain Routier
,
Hélène Bénédetti
,
Béatrice Vallée
,
Pascal Bonnet
,
Karen Plé
et al.
France, Patent n° : WO2021239727 A1. BCT. 2021
Patents
hal-03555349v1
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DESIGN, SYNTHESIS AND CHARACTERISATION OF A NOVEL TYPE II B-RAF PARADOX BREAKER INHIBITOR
Rohit Arora
,
Joannes T.M. Linders
,
Samia Aci-Sèche
,
Thomas Verheyen
,
Erika van Heerde
et al.
Journal articles
hal-04037562v1
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