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Items: 17

1.

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

Braka A, Garnier N, Bonnet P, Aci-Sèche S.

J Chem Inf Model. 2020 Jan 6. doi: 10.1021/acs.jcim.9b00497. [Epub ahead of print]

PMID:
31834793
2.

VSPrep: A KNIME workflow for the preparation of molecular databases for virtual screening.

Gally JM, Bourg S, Fogha J, Do QT, Aci-Sèche S, Bonnet P.

Curr Med Chem. 2019 Jun 14. doi: 10.2174/0929867326666190614160451. [Epub ahead of print]

PMID:
31242833
3.

Specific Targeting of Plant and Apicomplexa Parasite Tubulin through Differential Screening Using In Silico and Assay-Based Approaches.

Soleilhac E, Brillet-Guéguen L, Roussel V, Prudent R, Touquet B, Dass S, Aci-Sèche S, Kasam V, Barette C, Imberty A, Breton V, Vantard M, Horvath D, Botté C, Tardieux I, Roy S, Maréchal E, Lafanechère L.

Int J Mol Sci. 2018 Oct 9;19(10). pii: E3085. doi: 10.3390/ijms19103085.

4.

Enhanced Molecular Dynamics Methods Applied to Drug Design Projects.

Ziada S, Braka A, Diharce J, Aci-Sèche S, Bonnet P.

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

PMID:
29594783
5.

VSPrep: A General KNIME Workflow for the Preparation of Molecules for Virtual Screening.

Gally JM, Bourg S, Do QT, Aci-Sèche S, Bonnet P.

Mol Inform. 2017 Oct;36(10). doi: 10.1002/minf.201700023. Epub 2017 Jun 6.

PMID:
28586180
6.

30ièmes Journées Franco-Belges de Pharmacochimie.

Aci-Sèche S, Buron F, Plé K, Robin L, Suzenet F, Routier S.

Pharmaceuticals (Basel). 2016 Nov 18;9(4). pii: E73.

7.

Inhibition of PlexA1-mediated brain tumor growth and tumor-associated angiogenesis using a transmembrane domain targeting peptide.

Jacob L, Sawma P, Garnier N, Meyer LA, Fritz J, Hussenet T, Spenlé C, Goetz J, Vermot J, Fernandez A, Baumlin N, Aci-Sèche S, Orend G, Roussel G, Crémel G, Genest M, Hubert P, Bagnard D.

Oncotarget. 2016 Sep 6;7(36):57851-57865. doi: 10.18632/oncotarget.11072.

8.

Advanced molecular dynamics simulation methods for kinase drug discovery.

Aci-Sèche S, Ziada S, Braka A, Arora R, Bonnet P.

Future Med Chem. 2016 Apr;8(5):545-66. doi: 10.4155/fmc.16.9. Epub 2016 Apr 7. Review.

PMID:
27054816
9.

A Proteometric Analysis of Human Kinome: Insight into Discriminant Conformation-dependent Residues.

Bosc N, Wroblowski B, Aci-Sèche S, Meyer C, Bonnet P.

ACS Chem Biol. 2015 Dec 18;10(12):2827-40. doi: 10.1021/acschembio.5b00555. Epub 2015 Oct 16.

PMID:
26411811
10.

Transmembrane domain targeting peptide antagonizing ErbB2/Neu inhibits breast tumor growth and metastasis.

Arpel A, Sawma P, Spenlé C, Fritz J, Meyer L, Garnier N, Velázquez-Quesada I, Hussenet T, Aci-Sèche S, Baumlin N, Genest M, Brasse D, Hubert P, Crémel G, Orend G, Laquerrière P, Bagnard D.

Cell Rep. 2014 Sep 25;8(6):1714-1721. doi: 10.1016/j.celrep.2014.07.044. Epub 2014 Sep 15.

11.

Transmembrane recognition of the semaphorin co-receptors neuropilin 1 and plexin A1: coarse-grained simulations.

Aci-Sèche S, Sawma P, Hubert P, Sturgis JN, Bagnard D, Jacob L, Genest M, Garnier N.

PLoS One. 2014 May 23;9(5):e97779. doi: 10.1371/journal.pone.0097779. eCollection 2014.

12.

Synthesis and properties of 2'-O-neopentyl modified oligonucleotides.

Mathis G, Bourg S, Aci-Sèche S, Truffert JC, Asseline U.

Org Biomol Chem. 2013 Feb 28;11(8):1345-57. doi: 10.1039/c2ob26871j.

PMID:
23318410
13.

Pharmacological inhibition of LIM kinase stabilizes microtubules and inhibits neoplastic growth.

Prudent R, Vassal-Stermann E, Nguyen CH, Pillet C, Martinez A, Prunier C, Barette C, Soleilhac E, Filhol O, Beghin A, Valdameri G, Honoré S, Aci-Sèche S, Grierson D, Antonipillai J, Li R, Di Pietro A, Dumontet C, Braguer D, Florent JC, Knapp S, Bernard O, Lafanechère L.

Cancer Res. 2012 Sep 1;72(17):4429-39. Epub 2012 Jul 3.

14.

A triple spin-labeling strategy coupled with DEER analysis to detect DNA modifications and enzymatic repair.

Flaender M, Sicoli G, Aci-Seche S, Reignier T, Maurel V, Saint-Pierre C, Boulard Y, Gambarelli S, Gasparutto D.

Chembiochem. 2011 Nov 25;12(17):2560-3. doi: 10.1002/cbic.201100550. Epub 2011 Oct 7.

PMID:
21984076
15.

Ligand entry pathways in the ligand binding domain of PPARγ receptor.

Aci-Sèche S, Genest M, Garnier N.

FEBS Lett. 2011 Aug 19;585(16):2599-603. doi: 10.1016/j.febslet.2011.07.014. Epub 2011 Jul 26.

16.

Comparing native and irradiated E. coli lactose repressor-operator complex by molecular dynamics simulation.

Aci-Sèche S, Garnier N, Goffinont S, Genest D, Spotheim-Maurizot M, Genest M.

Eur Biophys J. 2010 Sep;39(10):1375-84. doi: 10.1007/s00249-010-0591-1. Epub 2010 Mar 28.

PMID:
20349312
17.

Lesion-induced DNA weak structural changes detected by pulsed EPR spectroscopy combined with site-directed spin labelling.

Sicoli G, Mathis G, Aci-Sèche S, Saint-Pierre C, Boulard Y, Gasparutto D, Gambarelli S.

Nucleic Acids Res. 2009 Jun;37(10):3165-76. doi: 10.1093/nar/gkp165. Epub 2009 Mar 20.

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