Barbault F - Search Results

1

Molecular Dynamics Simulation of a RNA Aptasensor.

Ruan M, Seydou M, Noel V, Piro B, Maurel F, Barbault F. Ruan M, et al. Among authors: barbault f. J Phys Chem B. 2017 Apr 27;121(16):4071-4080. doi: 10.1021/acs.jpcb.6b12544. Epub 2017 Apr 14. J Phys Chem B. 2017. PMID: 28363022

2

Flexible computational docking studies of new aminoglycosides targeting RNA 16S bacterial ribosome site.

Barbault F, Ren B, Rebehmed J, Teixeira C, Luo Y, Smila-Castro O, Maurel F, Fan B, Zhang L, Zhang L. Barbault F, et al. Eur J Med Chem. 2008 Aug;43(8):1648-56. doi: 10.1016/j.ejmech.2007.10.022. Epub 2007 Oct 22. Eur J Med Chem. 2008. PMID: 18096272

3

Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors.

Teixeira C, Barbault F, Rebehmed J, Liu K, Xie L, Lu H, Jiang S, Fan B, Maurel F. Teixeira C, et al. Among authors: barbault f. Bioorg Med Chem. 2008 Mar 15;16(6):3039-48. doi: 10.1016/j.bmc.2007.12.034. Epub 2008 Jan 28. Bioorg Med Chem. 2008. PMID: 18226912

4

2D and 3D QSAR studies of diarylpyrimidine HIV-1 reverse transcriptase inhibitors.

Rebehmed J, Barbault F, Teixeira C, Maurel F. Rebehmed J, et al. Among authors: barbault f. J Comput Aided Mol Des. 2008 Nov;22(11):831-41. doi: 10.1007/s10822-008-9217-4. Epub 2008 May 28. J Comput Aided Mol Des. 2008. PMID: 18506577

5

Cellular interaction through LewisX cluster: theoretical studies.

Luo Y, Barbault F, Gourmala C, Zhang Y, Maurel F, Hu Y, Fan BT. Luo Y, et al. Among authors: barbault f. J Mol Model. 2008 Oct;14(10):901-10. doi: 10.1007/s00894-008-0325-9. Epub 2008 Jul 11. J Mol Model. 2008. PMID: 18618154

6

Docking and 3D-QSAR studies of BMS-806 analogs as HIV-1 gp120 entry inhibitors.

Teixeira C, Serradji N, Maurel F, Barbault F. Teixeira C, et al. Among authors: barbault f. Eur J Med Chem. 2009 Sep;44(9):3524-32. doi: 10.1016/j.ejmech.2009.03.028. Epub 2009 Mar 28. Eur J Med Chem. 2009. PMID: 19410340

7

Molecular dynamics simulations of 2-amino-6-arylsulphonylbenzonitriles analogues as HIV inhibitors: interaction modes and binding free energies.

Hu R, Barbault F, Maurel F, Delamar M, Zhang R. Hu R, et al. Among authors: barbault f. Chem Biol Drug Des. 2010 Dec;76(6):518-26. doi: 10.1111/j.1747-0285.2010.01028.x. Epub 2010 Oct 13. Chem Biol Drug Des. 2010. PMID: 20942836

8

Synthesis of purin-2-yl and purin-6-yl-aminoglucitols as C-nucleosidic ATP mimics and biological evaluation as FGFR3 inhibitors.

Tak-Tak L, Barbault F, Maurel F, Busca P, Le Merrer Y. Tak-Tak L, et al. Among authors: barbault f. Eur J Med Chem. 2011 Apr;46(4):1254-62. doi: 10.1016/j.ejmech.2011.01.048. Epub 2011 Feb 3. Eur J Med Chem. 2011. PMID: 21334122

9

Viral surface glycoproteins, gp120 and gp41, as potential drug targets against HIV-1: brief overview one quarter of a century past the approval of zidovudine, the first anti-retroviral drug.

Teixeira C, Gomes JR, Gomes P, Maurel F, Barbault F. Teixeira C, et al. Among authors: barbault f. Eur J Med Chem. 2011 Apr;46(4):979-92. doi: 10.1016/j.ejmech.2011.01.046. Epub 2011 Feb 3. Eur J Med Chem. 2011. PMID: 21345545 Review.

10

Is inhibition process better described with MD(QM/MM) simulations? The case of urokinase type plasminogen activator inhibitors.

Barbault F, Maurel F. Barbault F, et al. J Comput Chem. 2012 Mar 5;33(6):607-16. doi: 10.1002/jcc.21983. Epub 2012 Jan 13. J Comput Chem. 2012. PMID: 22241532

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