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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.
Methods in Molecular Biology, 2018, 1762, pp.403-426. ⟨10.1007/978-1-4939-7756-7_20⟩
Journal articles hal-01966502v1

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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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

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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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⟩
Journal articles hal-02024491v1
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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 et al.
ACS Omega, 2020, 5 (5), pp.2114-2122. ⟨10.1021/acsomega.9b02697⟩
Journal articles hal-02904687v1

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 et al.
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
Conference papers hal-02734800v1