| An Unusual Binding Model of the Methyl 9-Anilinothiazolo[5,4-f] quinazoline-2-carbimidates (EHT 1610 and EHT 5372) Confers High Selectivity for Dual-Specificity … A Chaikuad, J Diharce, M Schröder, A Foucourt, B Leblond, ... Journal of Medicinal Chemistry 59 (22), 10315-10321, 2016 | 54 | 2016 |
| An original class of small sized molecules as versatile fluorescent probes for cellular imaging D Sirbu, J Diharce, I Martinić, N Chopin, SV Eliseeva, G Guillaumet, ... Chemical communications 55 (54), 7776-7779, 2019 | 22 | 2019 |
| VHH Structural Modelling Approaches: A Critical Review P Vishwakarma, AM Vattekatte, N Shinada, J Diharce, C Martins, F Cadet, ... International Journal of Molecular Sciences 23 (7), 3721, 2022 | 19 | 2022 |
| Alphafold2 update and perspectives S Tourlet, R Radjasandirane, J Diharce, AG de Brevern BioMedInformatics 3 (2), 378-390, 2023 | 17 | 2023 |
| Fine-tuning of microsolvation and hydrogen bond interaction regulates substrate channelling in the course of flavonoid biosynthesis J Diharce, J Golebiowski, S Fiorucci, S Antonczak Physical Chemistry Chemical Physics 18 (15), 10337-10345, 2016 | 15 | 2016 |
| Estimation of drug-target residence time by targeted molecular dynamics simulations S Ziada, J Diharce, E Raimbaud, S Aci-Sèche, P Ducrot, P Bonnet Journal of Chemical Information and Modeling 62 (22), 5536-5549, 2022 | 12 | 2022 |
| Computational analysis of crystallization additives for the identification of new allosteric sites J Fogha, J Diharce, A Obled, S Aci-Seche, P Bonnet ACS omega 5 (5), 2114-2122, 2020 | 12 | 2020 |
| 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 F Couly, M Harari, C Dubouilh-Benard, L Bailly, E Petit, J Diharce, ... Molecules 23 (9), 2181, 2018 | 12 | 2018 |
| Versatile dimerisation process of translocator protein (TSPO) revealed by an extensive sampling based on a coarse-grained dynamics study R Rao, J Diharce, B Dugué, MA Ostuni, F Cadet, C Etchebest Journal of Chemical Information and Modeling 60 (8), 3944-3957, 2020 | 10 | 2020 |
| In silico peptide ligation: Iterative residue docking and linking as a new approach to predict protein-peptide interactions J Diharce, M Cueto, M Beltramo, V Aucagne, P Bonnet Molecules 24 (7), 1351, 2019 | 10 | 2019 |
| O2 Migration Rates in [NiFe] Hydrogenases. A Joint Approach Combining Free-Energy Calculations and Kinetic Modeling J Topin, J Diharce, S Fiorucci, S Antonczak, J Golebiowski The Journal of Physical Chemistry B 118 (3), 676-681, 2014 | 8 | 2014 |
| Exploring Dihydroflavonol‐4‐Reductase Reactivity and Selectivity by QM/MM‐MD Simulations J Diharce, E Bignon, S Fiorucci, S Antonczak ChemBioChem 23 (3), e202100553, 2022 | 7 | 2022 |
| Analysis of Integrin αIIb Subunit Dynamics Reveals Long-Range Effects of Missense Mutations on Calf Domains S Anies, V Jallu, J Diharce, TJ Narwani, AG de Brevern International Journal of Molecular Sciences 23 (2), 858, 2022 | 7 | 2022 |
| Structural and evolutionary exploration of the IL-3 family and its alpha subunit receptors J Fogha, J Bayry, J Diharce, AG de Brevern Amino Acids 53 (8), 1211-1227, 2021 | 6 | 2021 |
| Quality assessment of VHH models AA Nadaradjane, J Diharce, J Rebehmed, F Cadet, F Gardebien, JC Gelly, ... Journal of Biomolecular Structure and Dynamics 41 (22), 13287-13301, 2023 | 5 | 2023 |
| Transposable element exonization generates a reservoir of evolving and functional protein isoforms YA Arribas, B Baudon, M Rotival, G Suárez, PE Bonté, V Casas, ... Cell 187 (26), 7603-7620. e22, 2024 | 3 | 2024 |
| Equipping coiled-coil peptide dimers with furan warheads reveals novel cross-link partners L Miret-Casals, S Van De Putte, D Aerssens, J Diharce, P Bonnet, ... Frontiers in Chemistry 9, 799706, 2022 | 3 | 2022 |
| Enhanced molecular dynamics methods applied to drug design projects S Ziada, A Braka, J Diharce, S Aci-Sèche, P Bonnet Computational Drug Discovery and Design, 403-426, 2018 | 3 | 2018 |
| Etude par modélisation moléculaire de systèmes multienzymatiques impliqués dans la biosynthèse des flavonoïdes J Diharce Université Nice Sophia Antipolis, 2014 | 3 | 2014 |
| The mutual and dynamic role of TSPO and ligands in their binding process: An example with PK-11195 RM Rao, I El Dhaybi, F Cadet, C Etchebest, J Diharce Biochimie, 2024 | 2 | 2024 |
