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30th Franco-Belgian conference of pharmacochemistry

Charlotte Bouckaert , Eric Goffin , Sebastien Dilly , Julien Hanson , Lionel Pochet et al.
Pharmaceuticals, 2016, 9 (4), pp.73. ⟨10.3390/ph9040073⟩
Journal articles hal-02141338v1

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 of Chemical Information and Modeling, 2022, ⟨10.1021/acs.jcim.2c00852⟩
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.
Molecules, 2020, 25 (14), pp.3226. ⟨10.3390/molecules25143226⟩
Journal articles hal-02904776v1

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.
Current Medicinal Chemistry, 2020, 27 (38), pp.6480-6494. ⟨10.2174/0929867326666190614160451⟩
Journal articles hal-02387324v1

Advanced molecular dynamics simulation methods for kinase drug discovery

Samia Aci-Seche , Sonia Ziada , Abdennour Braka , Rohit Arora , Pascal Bonnet et al.
Future Medicinal Chemistry, 2016, 8 (5), pp.545-566. ⟨10.4155/fmc.16.9⟩
Journal articles hal-02494426v1

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.
European Journal of Medicinal Chemistry, 2018, 154, pp.101-109. ⟨10.1016/j.ejmech.2018.04.056⟩
Journal articles hal-03408667v1

Enhanced molecular dynamics methods applied to drug design projects

Sonia Ziada , Abdennour Braka , Julien Diharce , Samia Aci-Seche , Pascal Bonnet et al.
Methods in Molecular Biology, 2018, 1762, pp.403-426. ⟨10.1007/978-1-4939-7756-7_20⟩
Journal articles hal-01966502v1

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.
Chemical Communications, 2019, 55 (54), pp.7776-7779. ⟨10.1039/C9CC03765A⟩
Journal articles hal-02373125v1

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.
Molecules, 2019, 24 (7), pp.1-14. ⟨10.3390/molecules24071351⟩
Journal articles hal-03525312v1

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.
European Journal of Medicinal Chemistry, 2014, 80, pp.352-363. ⟨10.1016/j.ejmech.2014.04.055⟩
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 of Chromatography A, 2020, 1612, pp.460689. ⟨10.1016/j.chroma.2019.460689⟩
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.
Advanced Synthesis and Catalysis, 2021, 363 (16), pp.3937-3945. ⟨10.1002/adsc.202001421⟩
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.
European Journal of Medicinal Chemistry, 2015, 101, pp.274-287. ⟨10.1016/j.ejmech.2015.06.046⟩
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 of Chemical Information and Modeling, 2019, 60 (1), pp.342-348. ⟨10.1021/acs.jcim.9b00497⟩
Journal articles hal-02494409v1

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

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.
European Journal of Medicinal Chemistry, 2023, 250, pp.115231. ⟨10.1016/j.ejmech.2023.115231⟩
Journal articles hal-04037562v1