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fpocket: online tools for protein ensemble pocket detection and tracking.
Schmidtke P, Le Guilloux V, Maupetit J, Tufféry P. Schmidtke P, et al. Among authors: le guilloux v. Nucleic Acids Res. 2010 Jul;38(Web Server issue):W582-9. doi: 10.1093/nar/gkq383. Epub 2010 May 16. Nucleic Acids Res. 2010. PMID: 20478829 Free PMC article.
Fpocket: an open source platform for ligand pocket detection.
Le Guilloux V, Schmidtke P, Tuffery P. Le Guilloux V, et al. BMC Bioinformatics. 2009 Jun 2;10:168. doi: 10.1186/1471-2105-10-168. BMC Bioinformatics. 2009. PMID: 19486540 Free PMC article.
Visual characterization and diversity quantification of chemical libraries: 1. creation of delimited reference chemical subspaces.
Le Guilloux V, Colliandre L, Bourg S, Guénegou G, Dubois-Chevalier J, Morin-Allory L. Le Guilloux V, et al. J Chem Inf Model. 2011 Aug 22;51(8):1762-74. doi: 10.1021/ci200051r. Epub 2011 Aug 3. J Chem Inf Model. 2011. PMID: 21761916
Visual characterization and diversity quantification of chemical libraries: 2. Analysis and selection of size-independent, subspace-specific diversity indices.
Colliandre L, Le Guilloux V, Bourg S, Morin-Allory L. Colliandre L, et al. Among authors: le guilloux v. J Chem Inf Model. 2012 Feb 27;52(2):327-42. doi: 10.1021/ci200535y. Epub 2012 Jan 5. J Chem Inf Model. 2012. PMID: 22181665
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