Blondel A - Search Results

1

Discrimination of agonists versus antagonists of nicotinic ligands based on docking onto AChBP structures.

Taly A, Colas C, Malliavin T, Blondel A, Nilges M, Corringer PJ, Joseph D. Taly A, et al. Among authors: blondel a. J Mol Graph Model. 2011 Sep;30:100-9. doi: 10.1016/j.jmgm.2011.06.008. Epub 2011 Jun 29. J Mol Graph Model. 2011. PMID: 21764343

2

Principal Component Analysis reveals correlation of cavities evolution and functional motions in proteins.

Desdouits N, Nilges M, Blondel A. Desdouits N, et al. Among authors: blondel a. J Mol Graph Model. 2015 Feb;55:13-24. doi: 10.1016/j.jmgm.2014.10.011. Epub 2014 Oct 25. J Mol Graph Model. 2015. PMID: 25424655 Free article.

3

Identification of cinnamic acid derivatives as novel antagonists of the prokaryotic proton-gated ion channel GLIC.

Prevost MS, Delarue-Cochin S, Marteaux J, Colas C, Van Renterghem C, Blondel A, Malliavin T, Corringer PJ, Joseph D. Prevost MS, et al. Among authors: blondel a. J Med Chem. 2013 Jun 13;56(11):4619-30. doi: 10.1021/jm400374q. Epub 2013 Jun 4. J Med Chem. 2013. PMID: 23682762 Free article.

4

mkgridXf: Consistent Identification of Plausible Binding Sites Despite the Elusive Nature of Cavities and Grooves in Protein Dynamics.

Monet D, Desdouits N, Nilges M, Blondel A. Monet D, et al. Among authors: blondel a. J Chem Inf Model. 2019 Aug 26;59(8):3506-3518. doi: 10.1021/acs.jcim.9b00103. Epub 2019 Jul 25. J Chem Inf Model. 2019. PMID: 31287306 Free article.

5

Mechanism of reactant and product dissociation from the anthrax edema factor: a locally enhanced sampling and steered molecular dynamics study.

Martínez L, Malliavin TE, Blondel A. Martínez L, et al. Among authors: blondel a. Proteins. 2011 May;79(5):1649-61. doi: 10.1002/prot.22991. Epub 2011 Mar 21. Proteins. 2011. PMID: 21425348 Free article.

6

Functional motions modulating VanA ligand binding unraveled by self-organizing maps.

Bouvier G, Duclert-Savatier N, Desdouits N, Meziane-Cherif D, Blondel A, Courvalin P, Nilges M, Malliavin TE. Bouvier G, et al. Among authors: blondel a. J Chem Inf Model. 2014 Jan 27;54(1):289-301. doi: 10.1021/ci400354b. Epub 2014 Jan 15. J Chem Inf Model. 2014. PMID: 24397493 Free article.

7

ATP conformations and ion binding modes in the active site of anthrax edema factor: a computational analysis.

Martínez L, Laine E, Malliavin TE, Nilges M, Blondel A. Martínez L, et al. Among authors: blondel a. Proteins. 2009 Dec;77(4):971-83. doi: 10.1002/prot.22523. Proteins. 2009. PMID: 19705488

8

Activation of the edema factor of Bacillus anthracis by calmodulin: evidence of an interplay between the EF-calmodulin interaction and calcium binding.

Laine E, Martínez L, Blondel A, Malliavin TE. Laine E, et al. Among authors: blondel a. Biophys J. 2010 Oct 6;99(7):2264-72. doi: 10.1016/j.bpj.2010.07.044. Biophys J. 2010. PMID: 20923661 Free PMC article.

9

Molecular motions as a drug target: mechanistic simulations of anthrax toxin edema factor function led to the discovery of novel allosteric inhibitors.

Laine E, Martínez L, Ladant D, Malliavin T, Blondel A. Laine E, et al. Among authors: blondel a. Toxins (Basel). 2012 Aug;4(8):580-604. doi: 10.3390/toxins4080580. Epub 2012 Jul 31. Toxins (Basel). 2012. PMID: 23012649 Free PMC article. Review.

10

Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis.

Harigua-Souiai E, Cortes-Ciriano I, Desdouits N, Malliavin TE, Guizani I, Nilges M, Blondel A, Bouvier G. Harigua-Souiai E, et al. Among authors: blondel a. BMC Bioinformatics. 2015 Mar 21;16:93. doi: 10.1186/s12859-015-0518-z. BMC Bioinformatics. 2015. PMID: 25888251 Free PMC article.

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