Diharce J - Search Results

1

Estimation of Drug-Target Residence Time by Targeted Molecular Dynamics Simulations.

Ziada S, Diharce J, Raimbaud E, Aci-Sèche S, Ducrot P, Bonnet P. Ziada S, et al. Among authors: diharce j. J Chem Inf Model. 2022 Nov 28;62(22):5536-5549. doi: 10.1021/acs.jcim.2c00852. Epub 2022 Nov 9. J Chem Inf Model. 2022. PMID: 36350238

2

V_HH Structural Modelling Approaches: A Critical Review.

Vishwakarma P, Vattekatte AM, Shinada N, Diharce J, Martins C, Cadet F, Gardebien F, Etchebest C, Nadaradjane AA, de Brevern AG. Vishwakarma P, et al. Among authors: diharce j. Int J Mol Sci. 2022 Mar 28;23(7):3721. doi: 10.3390/ijms23073721. Int J Mol Sci. 2022. PMID: 35409081 Free PMC article. Review.

3

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 Tyrosine Phosphorylation-Regulated Kinases.

Chaikuad A, Diharce J, Schröder M, Foucourt A, Leblond B, Casagrande AS, Désiré L, Bonnet P, Knapp S, Besson T. Chaikuad A, et al. Among authors: diharce j. J Med Chem. 2016 Nov 23;59(22):10315-10321. doi: 10.1021/acs.jmedchem.6b01083. Epub 2016 Nov 2. J Med Chem. 2016. PMID: 27766861

4

Enhanced Molecular Dynamics Methods Applied to Drug Design Projects.

Ziada S, Braka A, Diharce J, Aci-Sèche S, Bonnet P. Ziada S, et al. Among authors: diharce j. Methods Mol Biol. 2018;1762:403-426. doi: 10.1007/978-1-4939-7756-7_20. Methods Mol Biol. 2018. PMID: 29594783

5

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.

Couly F, Harari M, Dubouilh-Benard C, Bailly L, Petit E, Diharce J, Bonnet P, Meijer L, Fruit C, Besson T. Couly F, et al. Among authors: diharce j. Molecules. 2018 Aug 29;23(9):2181. doi: 10.3390/molecules23092181. Molecules. 2018. PMID: 30158487 Free PMC article.

6

In Silico Peptide Ligation: Iterative Residue Docking and Linking as a New Approach to Predict Protein-Peptide Interactions.

Diharce J, Cueto M, Beltramo M, Aucagne V, Bonnet P. Diharce J, et al. Molecules. 2019 Apr 5;24(7):1351. doi: 10.3390/molecules24071351. Molecules. 2019. PMID: 30959812 Free PMC article.

7

An original class of small sized molecules as versatile fluorescent probes for cellular imaging.

Sirbu D , Diharce J , Martinić I , Chopin N , Eliseeva SV , Guillaumet G , Petoud S , Bonnet P , Suzenet F . Sirbu D , et al. Among authors: diharce j. Chem Commun (Camb). 2019 Jul 2;55(54):7776-7779. doi: 10.1039/c9cc03765a. Chem Commun (Camb). 2019. PMID: 31210218

8

Computational Analysis of Crystallization Additives for the Identification of New Allosteric Sites.

Fogha J, Diharce J, Obled A, Aci-Sèche S, Bonnet P. Fogha J, et al. Among authors: diharce j. ACS Omega. 2020 Feb 3;5(5):2114-2122. doi: 10.1021/acsomega.9b02697. eCollection 2020 Feb 11. ACS Omega. 2020. PMID: 32064372 Free PMC article.

9

Versatile Dimerisation Process of Translocator Protein (TSPO) Revealed by an Extensive Sampling Based on a Coarse-Grained Dynamics Study.

Rao R, Diharce J, Dugué B, Ostuni MA, Cadet F, Etchebest C. Rao R, et al. Among authors: diharce j. J Chem Inf Model. 2020 Aug 24;60(8):3944-3957. doi: 10.1021/acs.jcim.0c00246. Epub 2020 Aug 5. J Chem Inf Model. 2020. PMID: 32697916

10

Equipping Coiled-Coil Peptide Dimers With Furan Warheads Reveals Novel Cross-Link Partners.

Miret-Casals L, Van De Putte S, Aerssens D, Diharce J, Bonnet P, Madder A. Miret-Casals L, et al. Among authors: diharce j. Front Chem. 2022 Feb 16;9:799706. doi: 10.3389/fchem.2021.799706. eCollection 2021. Front Chem. 2022. PMID: 35252125 Free PMC article.

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