Braka A - Search Results

1

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: braka a. Methods Mol Biol. 2018;1762:403-426. doi: 10.1007/978-1-4939-7756-7_20. Methods Mol Biol. 2018. PMID: 29594783

2

Advanced molecular dynamics simulation methods for kinase drug discovery.

Aci-Sèche S, Ziada S, Braka A, Arora R, Bonnet P. Aci-Sèche S, et al. Among authors: braka a. Future Med Chem. 2016 Apr;8(5):545-66. doi: 10.4155/fmc.16.9. Epub 2016 Apr 7. Future Med Chem. 2016. PMID: 27054816 Review.

3

Residence Time Prediction of Type 1 and 2 Kinase Inhibitors from Unbinding Simulations.

Braka A, Garnier N, Bonnet P, Aci-Sèche S. Braka A, et al. J Chem Inf Model. 2020 Jan 27;60(1):342-348. doi: 10.1021/acs.jcim.9b00497. Epub 2020 Jan 6. J Chem Inf Model. 2020. PMID: 31834793

4

Bell-Evans model and steered molecular dynamics in uncovering the dissociation kinetics of ligands targeting G-protein-coupled receptors.

Akhunzada MJ, Yoon HJ, Deb I, Braka A, Wu S. Akhunzada MJ, et al. Among authors: braka a. Sci Rep. 2022 Sep 24;12(1):15972. doi: 10.1038/s41598-022-20065-2. Sci Rep. 2022. PMID: 36153364 Free PMC article.

5

4-Substituted-1,2,3-triazolo nucleotide analogues as CD73 inhibitors, their synthesis, in vitro screening, kinetic and in silico studies.

Ghoteimi R, Braka A, Rodriguez C, Cros-Perrial E, Tai Nguyen V, Uttaro JP, Mathé C, Chaloin L, Ménétrier-Caux C, Jordheim LP, Peyrottes S. Ghoteimi R, et al. Among authors: braka a. Bioorg Chem. 2021 Feb;107:104577. doi: 10.1016/j.bioorg.2020.104577. Epub 2020 Dec 23. Bioorg Chem. 2021. PMID: 33450542

6

Association between multimorbidity and postoperative mortality in patients undergoing major surgery: a prospective study in 29 countries across Europe.

STARSurg Collaborative; EuroSurg Collaborative. STARSurg Collaborative, et al. Anaesthesia. 2024 Sep;79(9):945-956. doi: 10.1111/anae.16324. Epub 2024 May 27. Anaesthesia. 2024. PMID: 39101671 Free article.

7

Tetrahydropyridine LIMK inhibitors: Structure activity studies and biological characterization.

Champiré A, Berabez R, Braka A, Cosson A, Corret J, Girardin C, Serrano A, Aci-Sèche S, Bonnet P, Josselin B, Brindeau P, Ruchaud S, Leguevel R, Chatterjee D, Mathea S, Knapp S, Brion R, Verrecchia F, Vallée B, Plé K, Bénédetti H, Routier S. Champiré A, et al. Among authors: braka a. Eur J Med Chem. 2024 May 5;271:116391. doi: 10.1016/j.ejmech.2024.116391. Epub 2024 Apr 9. Eur J Med Chem. 2024. PMID: 38669909 Free article.

8

Impact of postoperative cardiovascular complications on 30-day mortality after major abdominal surgery: an international prospective cohort study.

STARSurg Collaborative; EuroSurg Collaborative. STARSurg Collaborative, et al. Anaesthesia. 2024 Jul;79(7):715-724. doi: 10.1111/anae.16220. Epub 2024 Feb 2. Anaesthesia. 2024. PMID: 38303634

9

Quantifying Functional-Group-like Structural Fragments in Molecules and Its Applications in Drug Design.

Mukherjee G, Braka A, Wu S. Mukherjee G, et al. Among authors: braka a. J Chem Inf Model. 2023 Apr 10;63(7):2073-2083. doi: 10.1021/acs.jcim.3c00050. Epub 2023 Mar 7. J Chem Inf Model. 2023. PMID: 36881497

10

Second-Generation CD73 Inhibitors Based on a 4,6-Biaryl-2-thiopyridine Scaffold.

Ghoteimi R, Braka A, Rodriguez C, Cros-Perrial E, Duvauchelle V, Uttaro JP, Mathé C, Ménétrier-Caux C, Jordheim LP, Chaloin L, Peyrottes S. Ghoteimi R, et al. Among authors: braka a. ChemMedChem. 2023 Apr 3;18(7):e202200594. doi: 10.1002/cmdc.202200594. Epub 2023 Feb 7. ChemMedChem. 2023. PMID: 36700491

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