Pascal Bonnet

Professeur de Chimie ; Vice-Président de la Recherche de l'Université d'Orléans
59
Documents
Affiliations actuelles
  • Institut de Chimie Organique et Analytique (ICOA)
  • Université d'Orléans (UO)

Publications

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Publications

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New fluoxetine analogues as anti-enterovirus agents targeting 2C protein

Safeh Khemiri , Marine Faucher , Stephane Bourg , Sarah Attoumani-Madi , Carole Yaacoub et al.

European Journal of Medicinal Chemistry, 2026, pp.118621. ⟨10.1016/j.ejmech.2026.118621⟩

Article dans une revue hal-05481159v1
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Spatio-temporal learning from molecular dynamics simulations for protein–ligand binding affinity prediction

Pierre-Yves Libouban , Camille Parisel , Maxime Song , Samia Aci-Sèche , Jose C Gómez-Tamayo et al.

Bioinformatics, 2025, 41 (8), pp.btaf429. ⟨10.1093/bioinformatics/btaf429⟩

Article dans une revue hal-05346168v1
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Prozac 2.0 : from antidepressant to antiviral

Marine O Faucher , Safeh Khemiri , Carole Yaacoub , Franck Touret , Sarah Attoumani-Madi et al.

Virologie, 2025, 29 (5), pp.380-381. ⟨10.1684/vir.2025.1111⟩

Article dans une revue hal-05379132v1
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Tetrahydropyridine LIMK inhibitors: Structure activity studies and biological characterization

Anthony Champiré , Rayan Berabez , Abdennour Braka , Aurélie Cosson , Justine Corret et al.

European Journal of Medicinal Chemistry, 2024, 271, pp.116391-116391. ⟨10.1016/j.ejmech.2024.116391⟩

Article dans une revue hal-04575964v1
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The Identification of New c-FLIP Inhibitors for Restoring Apoptosis in TRAIL-Resistant Cancer Cells

Katherine Yaacoub , Rémy Pedeux , Pierre Lafite , Ulrich Jarry , Samia Aci-Sèche et al.

Current Issues in Molecular Biology, 2024, 46 (1), pp.710 - 728. ⟨10.3390/cimb46010046⟩

Article dans une revue hal-04439697v1
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Highlighting the Major Role of Cyclin C in Cyclin-Dependent Kinase 8 Activity through Molecular Dynamics Simulations

Sonia Ziada , Julien Diharce , Dylan Serillon , Pascal Bonnet , Samia Aci-Sèche

International Journal of Molecular Sciences, 2024, 25 (10), pp.5411. ⟨10.3390/ijms25105411⟩

Article dans une revue hal-04662241v1
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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⟩

Article dans une revue hal-04037562v1
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The Impact of Data on Structure-Based Binding Affinity Predictions Using Deep Neural Networks

Pierre-Yves Libouban , Samia Aci-Sèche , Jose Carlos Gómez-Tamayo , Gary Tresadern , Pascal Bonnet

International Journal of Molecular Sciences, 2023, 24 (22), pp.16120. ⟨10.3390/ijms242216120⟩

Article dans une revue hal-04662295v1
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Design of ERK2 inhibitors for cancer therapy

Magdalena Mizerska-Kowalska , Samia Aci-Seche , Stéphane Bourg , Elżbieta Łastawiecka , Pascal Bonnet

LE STUDIUM Multidisciplinary Journal, 2023, 7 (16), pp.114-116. ⟨10.34846/le-studium.275.02.fr.09-2023⟩

Article dans une revue hal-05077872v2
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A perspective on the sharing of docking data

Samia Aci-Sèche , Stéphane Bourg , Pascal Bonnet , Joseph Rebehmed , Alexandre de Brevern et al.

Data in Brief, 2023, 49 (22), pp.109386. ⟨10.1016/j.dib.2023.109386⟩

Article dans une revue hal-04251910v1
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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 of Chemical Information and Modeling, 2022, ⟨10.1021/acs.jcim.2c00852⟩

Article dans une revue 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 of Enzyme Inhibition and Medicinal Chemistry, 2022, 37 (1), pp.1632-1650. ⟨10.1080/14756366.2022.2082419⟩

Article dans une revue hal-03818922v1
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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.

Molecules, 2021, 26 (17), pp.5349. ⟨10.3390/molecules26175349⟩

Article dans une revue hal-03348966v1
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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⟩

Article dans une revue hal-03416452v1
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Computational Analysis of Crystallization Additives for the Identification of New Allosteric Sites

Jade Fogha , Julien Diharce , Alan Obled , Samia Aci-Seche , Pascal Bonnet

ACS Omega, 2020, 5 (5), pp.2114-2122. ⟨10.1021/acsomega.9b02697⟩

Article dans une revue hal-02904687v1

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⟩

Article dans une revue hal-02387324v1
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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⟩

Article dans une revue hal-02904776v1
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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.

European Journal of Medicinal Chemistry, 2020, 199 (31), pp.112355. ⟨10.1016/j.ejmech.2020.112355⟩

Article dans une revue hal-03036489v1
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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.

ACS Chemical Biology, 2020, 15 (6), pp.1566-1574. ⟨10.1021/acschembio.0c00179⟩

Article dans une revue hal-02569625v1
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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⟩

Article dans une revue hal-02904771v1
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Design of new disubstituted imidazo[1,2- b ]pyridazine derivatives as selective Haspin inhibitors. Synthesis, binding mode and anticancer biological evaluation

Jonathan Elie , Omid Feizbakhsh , Nathalie Desban , Béatrice Josselin , Blandine Baratte et al.

Journal of Enzyme Inhibition and Medicinal Chemistry, 2020, 35 (1), pp.1840-1853. ⟨10.1080/14756366.2020.1825408⟩

Article dans une revue hal-03004407v1
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Hyphenation of ultra-high performance supercritical fluid chromatography with atmospheric pressure chemical ionisation high resolution mass spectrometry: Part 2. Study of chromatographic and mass spectrometry parameters for the analysis of natural non-polar compounds

Johanna Duval , Cyril Colas , Pascal Bonnet , Eric Lesellier

Journal of Chromatography A, 2019, 1596, pp.199 - 208. ⟨10.1016/j.chroma.2019.03.018⟩

Article dans une revue hal-03484950v1
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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⟩

Article dans une revue hal-02373125v1
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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

Molecules, 2019, 24 (7), pp.1-14. ⟨10.3390/molecules24071351⟩

Article dans une revue hal-03525312v1
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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⟩

Article dans une revue hal-02494409v1

PKIDB: A Curated, Annotated and Updated Database of Protein Kinase Inhibitors in Clinical Trials

Fabrice Carles , Stéphane Bourg , Christophe Meyer , Pascal Bonnet

Molecules, 2018, 23 (4), pp.908. ⟨10.3390/molecules23040908⟩

Article dans une revue hal-02904769v1
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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⟩

Article dans une revue hal-03408667v1

Enhanced molecular dynamics methods applied to drug design projects

Sonia Ziada , Abdennour Braka , Julien Diharce , Samia Aci-Seche , Pascal Bonnet

Methods in Molecular Biology, 2018, 1762, pp.403-426. ⟨10.1007/978-1-4939-7756-7_20⟩

Article dans une revue hal-01966502v1

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

New Journal of Chemistry, 2018, 42 (8), pp.5728-5741. ⟨10.1039/c7nj05088g⟩

Article dans une revue hal-02620165v1
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Development of Kinase Inhibitors via Metal-Catalyzed C–H Arylation of 8-Alkyl-thiazolo[5,4-f]-quinazolin-9-ones Designed by Fragment-Growing Studies

Florence Couly , Marine Harari , Carole Dubouilh-Benard , Laëtitia Bailly , Emilie Petit et al.

Molecules, 2018, 23 (9), pp.2181. ⟨10.3390/molecules23092181⟩

Article dans une revue hal-02024491v1

PKIDB: A Curated, Annotated and Updated Database of Protein Kinase Inhibitors in Clinical Trials

Fabrice Carles , Stéphane Bourg , Christophe Meyer , Pascal Bonnet

Molecules, 2018, 23 (4), pp.908. ⟨10.3390/molecules23040908⟩

Article dans une revue hal-04272950v1

Comprehensive Network Map of ADME-Tox Databases

Baptiste Canault , Stéphane Bourg , Philippe Vayer , Pascal Bonnet

Molecular Informatics, 2017, 36 (10), pp.1700029. ⟨10.1002/minf.201700029⟩

Article dans une revue hal-02904766v1

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

Molecular Informatics, 2017, 36 (10), pp.1700023. ⟨10.1002/minf.201700023⟩

Article dans une revue hal-02904764v1

Advanced molecular dynamics simulation methods for kinase drug discovery

Samia Aci-Seche , Sonia Ziada , Abdennour Braka , Rohit Arora , Pascal Bonnet

Future Medicinal Chemistry, 2016, 8 (5), pp.545-566. ⟨10.4155/fmc.16.9⟩

Article dans une revue hal-02494426v1
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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⟩

Article dans une revue hal-02141338v1

Novel optimization of valmerins (tetrahydropyrido[1,2-a]isoindolones) as potent dual CDK5/GSK3 inhibitors

Aziz Ouach , Rajâa Boulahjar , Christine Vala , Stéphane Bourg , Pascal Bonnet et al.

European Journal of Medicinal Chemistry, 2016, 115, pp.311--325. ⟨10.1016/j.ejmech.2016.02.072⟩

Article dans une revue hal-01295635v1

Iron-Catalyzed Trifluoromethylation of Enamide

Romain Rey-Rodriguez , Pascal Retailleau , Pascal Bonnet , Isabelle Gillaizeau

Chemistry - A European Journal, 2015, 21 (9), pp.3572-3575. ⟨10.1002/chem.201406333⟩

Article dans une revue istex hal-01163306v1

Synthesis of dihydropyrimidine α,γ-diketobutanoic acid derivatives targeting HIV integrase

Ozkan Sari , Vincent Roy , Mathieu Métifiot , Christophe Marchand , Yves Pommier et al.

European Journal of Medicinal Chemistry, 2015, 104, pp.127-138. ⟨10.1016/j.ejmech.2015.09.015⟩

Article dans une revue hal-02904762v1
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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⟩

Article dans une revue hal-01212495v1

Design, Synthesis, and Biological Activity of Pyridopyrimidine Scaffolds as Novel PI3K/mTOR Dual Inhibitors

Thibault Saurat , Frédéric Buron , Nuno Rodrigues , Marie-Ludivine de Tauzia , Lionel Colliandre et al.

Journal of Medicinal Chemistry, 2014, 57 (3), pp.613-631. ⟨10.1021/jm401138v⟩

Article dans une revue hal-01180887v1

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.

Epigenomics, 2014, 6 (3), pp.267-275. ⟨10.2217/epi.14.18⟩

Article dans une revue inserm-02478615v1

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⟩

Article dans une revue hal-02904758v1
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Two-Step One-Pot Synthesis of Benzoannulated Spiroacetals by Suzuki–Miyaura Coupling/Acid-Catalyzed Spiroacetalization

Alexey N. Butkevich , Andrei Corbu , Lieven Meerpoel , Ian Stansfield , Patrick Angibaud et al.

Organic Letters, 2012, 14, pp.4998 - 5001. ⟨10.1021/ol302088w⟩

Article dans une revue hal-03102296v1

Benzoic acid and pyridine derivatives as inhibitors of Trypanosoma cruzi trans-sialidase

João Neres , Pascal Bonnet , Philip N Edwards , Pravin L Kotian , Alejandro Buschiazzo et al.

Bioorganic and Medicinal Chemistry, 2007, 15 (5), pp.2106-2119. ⟨10.1016/j.bmc.2006.12.024⟩

Article dans une revue istex pasteur-02554109v1

Synthesis and preclinical validation of LIMKs inhibitors: Promising drugs for osteosarcoma treatment?

Rayan Berabez , Anthony Champiré , Margaux Sainjon , Abdennour Braka , Samia Aci-Seche et al.

SCT 29th Young Research Fellow Meeting, Jul 2022, Nantes, France

Communication dans un congrès hal-04822252v1

Synthesis and preclinical validation of LIMKs inhibitors: Promising drugs for osteosarcoma treatment?

Anthony Champiré , Margaux Sainjon , Abdennour Braka , Samia Aci-Seche , Pascal Bonnet et al.

XXVII EFMC International Symposium on Medicinal Chemistry, Sep 2022, NICE, France

Communication dans un congrès hal-04823073v1

Fragment covalent docking (FCD) approach: An innovative in silico tools for the prediction of peptide-protein interaction

Julien Diharce , Mickaël Cueto , Vincent Aucagne , Massimiliano Beltramo , Pascal Bonnet

256th National Meeting and Exposition of the American-Chemical-Society Nanoscience, Nanotechnology and Beyond (ACS), American Chemical Society (ACS). USA., Aug 2018, Boston, United States. pp.2

Communication dans un congrès hal-02734800v1

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⟩

Communication dans un congrès hal-02383907v1

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

Communication dans un congrès hal-02928530v1
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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

24th ACM SIGKDD International Conference on Knowledge Discovery & Data Mining, Aug 2018, Londres, United Kingdom. pp.462-471, ⟨10.1145/3219819.3219849⟩

Communication dans un congrès hal-01939468v1

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

Communication dans un congrès hal-02928517v1
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ChemBioFrance small molecules for health and research

Pascal Bonnet , Florence Mahuteau-Betzer , Mikaël Le Clech , Kiet Tran

RICT 2025 - 59th International Conference on Medicinal Chemistry, Jul 2025, Orléans, France

Poster de conférence hal-05151514v1

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

Poster de conférence hal-02924077v1

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

Poster de conférence hal-03680148v1

Computational study of ligand-receptor binding process using enhanced molecular dynamics simulations

A. Braka , Samia Aci-Seche , S. Bourg , Norbert Garnier , Pascal Bonnet

21st European Symposium on Quantitative Structure-Activity Relationship, Sep 2016, Vérone, Italy

Poster de conférence hal-02919149v1

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.

Poster de conférence hal-02453490v1

Projet Région LiCorNe: LIMK protein inhibitors, new therapeutic agents for treatment of cognitive disorders associated with type I Neurofibromatosis

Béatrice Vallée , Michel Doudeau , F. Godin , H. Cubéros , A. Champiré et al.

Journée Fédération PCV FR2708, Jan 2016, Orléans, France

Poster de conférence hal-02924056v1

The vision of ATHENA research-based cooperation by the University of Orléans (UORL)

Ioan Todinca , Pascal Bonnet

József Györkös; Ron Blonder; Anne Friderike Delouis; Konstantinos Petridis. ATHENA Advanced Technology Higher Education Network Alliance The Vision of ATHENA Research-based Cooperation, 2, University of Maribor, University Press, 2023, 978-961-286-783-6. ⟨10.18690/um.4.2023⟩

Chapitre d'ouvrage hal-05500075v1