Lagorce D - Search Results

1

FAF-Drugs3: a web server for compound property calculation and chemical library design.

Lagorce D, Sperandio O, Baell JB, Miteva MA, Villoutreix BO. Lagorce D, et al. Nucleic Acids Res. 2015 Jul 1;43(W1):W200-7. doi: 10.1093/nar/gkv353. Epub 2015 Apr 16. Nucleic Acids Res. 2015. PMID: 25883137 Free PMC article.

2

Rational design of small-molecule stabilizers of spermine synthase dimer by virtual screening and free energy-based approach.

Zhang Z, Martiny V, Lagorce D, Ikeguchi Y, Alexov E, Miteva MA. Zhang Z, et al. Among authors: lagorce d. PLoS One. 2014 Oct 23;9(10):e110884. doi: 10.1371/journal.pone.0110884. eCollection 2014. PLoS One. 2014. PMID: 25340632 Free PMC article.

3

In silico design of low molecular weight protein-protein interaction inhibitors: Overall concept and recent advances.

Kuenemann MA, Sperandio O, Labbé CM, Lagorce D, Miteva MA, Villoutreix BO. Kuenemann MA, et al. Among authors: lagorce d. Prog Biophys Mol Biol. 2015 Oct;119(1):20-32. doi: 10.1016/j.pbiomolbio.2015.02.006. Epub 2015 Mar 5. Prog Biophys Mol Biol. 2015. PMID: 25748546 Review.

4

Computational analysis of calculated physicochemical and ADMET properties of protein-protein interaction inhibitors.

Lagorce D, Douguet D, Miteva MA, Villoutreix BO. Lagorce D, et al. Sci Rep. 2017 Apr 11;7:46277. doi: 10.1038/srep46277. Sci Rep. 2017. PMID: 28397808 Free PMC article.

5

iPPI-DB: an online database of modulators of protein-protein interactions.

Labbé CM, Kuenemann MA, Zarzycka B, Vriend G, Nicolaes GA, Lagorce D, Miteva MA, Villoutreix BO, Sperandio O. Labbé CM, et al. Among authors: lagorce d. Nucleic Acids Res. 2016 Jan 4;44(D1):D542-7. doi: 10.1093/nar/gkv982. Epub 2015 Oct 1. Nucleic Acids Res. 2016. PMID: 26432833 Free PMC article.

6

One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade.

Villoutreix BO, Lagorce D, Labbé CM, Sperandio O, Miteva MA. Villoutreix BO, et al. Among authors: lagorce d. Drug Discov Today. 2013 Nov;18(21-22):1081-9. doi: 10.1016/j.drudis.2013.06.013. Epub 2013 Jul 3. Drug Discov Today. 2013. PMID: 23831439 Review.

7

FAF-Drugs4: free ADME-tox filtering computations for chemical biology and early stages drug discovery.

Lagorce D, Bouslama L, Becot J, Miteva MA, Villoutreix BO. Lagorce D, et al. Bioinformatics. 2017 Nov 15;33(22):3658-3660. doi: 10.1093/bioinformatics/btx491. Bioinformatics. 2017. PMID: 28961788

8

MTiOpenScreen: a web server for structure-based virtual screening.

Labbé CM, Rey J, Lagorce D, Vavruša M, Becot J, Sperandio O, Villoutreix BO, Tufféry P, Miteva MA. Labbé CM, et al. Among authors: lagorce d. Nucleic Acids Res. 2015 Jul 1;43(W1):W448-54. doi: 10.1093/nar/gkv306. Epub 2015 Apr 8. Nucleic Acids Res. 2015. PMID: 25855812 Free PMC article.

9

In silico prediction of aqueous solubility: a multimodel protocol based on chemical similarity.

Chevillard F, Lagorce D, Reynès C, Villoutreix BO, Vayer P, Miteva MA. Chevillard F, et al. Among authors: lagorce d. Mol Pharm. 2012 Nov 5;9(11):3127-35. doi: 10.1021/mp300234q. Epub 2012 Oct 25. Mol Pharm. 2012. PMID: 23072744

10

The FAF-Drugs2 server: a multistep engine to prepare electronic chemical compound collections.

Lagorce D, Maupetit J, Baell J, Sperandio O, Tufféry P, Miteva MA, Galons H, Villoutreix BO. Lagorce D, et al. Bioinformatics. 2011 Jul 15;27(14):2018-20. doi: 10.1093/bioinformatics/btr333. Epub 2011 Jun 2. Bioinformatics. 2011. PMID: 21636592

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