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77 results
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Frog2: Efficient 3D conformation ensemble generator for small compounds.
Miteva MA, Guyon F, Tufféry P. Miteva MA, et al. Nucleic Acids Res. 2010 Jul;38(Web Server issue):W622-7. doi: 10.1093/nar/gkq325. Epub 2010 May 5. Nucleic Acids Res. 2010. PMID: 20444874 Free PMC article.
PCE: web tools to compute protein continuum electrostatics.
Miteva MA, Tufféry P, Villoutreix BO. Miteva MA, et al. Nucleic Acids Res. 2005 Jul 1;33(Web Server issue):W372-5. doi: 10.1093/nar/gki365. Nucleic Acids Res. 2005. PMID: 15980492 Free PMC article.
FAF-Drugs: free ADME/tox filtering of compound collections.
Miteva MA, Violas S, Montes M, Gomez D, Tuffery P, Villoutreix BO. Miteva MA, et al. Nucleic Acids Res. 2006 Jul 1;34(Web Server issue):W738-44. doi: 10.1093/nar/gkl065. Nucleic Acids Res. 2006. PMID: 16845110 Free PMC article.
Frog: a FRee Online druG 3D conformation generator.
Leite TB, Gomes D, Miteva MA, Chomilier J, Villoutreix BO, Tufféry P. Leite TB, et al. Among authors: miteva ma. Nucleic Acids Res. 2007 Jul;35(Web Server issue):W568-72. doi: 10.1093/nar/gkm289. Epub 2007 May 7. Nucleic Acids Res. 2007. PMID: 17485475 Free PMC article.
MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening.
Sauton N, Lagorce D, Villoutreix BO, Miteva MA. Sauton N, et al. Among authors: miteva ma. BMC Bioinformatics. 2008 Apr 10;9:184. doi: 10.1186/1471-2105-9-184. BMC Bioinformatics. 2008. PMID: 18402678 Free PMC article.
Protein structure analysis online.
Miteva MA, Alexov E, Villoutreix BO. Miteva MA, et al. Curr Protoc Protein Sci. 2007 Nov;Chapter 2:Unit 2.13. doi: 10.1002/0471140864.ps0213s50. Curr Protoc Protein Sci. 2007. PMID: 18429316
FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects.
Lagorce D, Sperandio O, Galons H, Miteva MA, Villoutreix BO. Lagorce D, et al. Among authors: miteva ma. BMC Bioinformatics. 2008 Sep 24;9:396. doi: 10.1186/1471-2105-9-396. BMC Bioinformatics. 2008. PMID: 18816385 Free PMC article.
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening.
Pencheva T, Lagorce D, Pajeva I, Villoutreix BO, Miteva MA. Pencheva T, et al. Among authors: miteva ma. BMC Bioinformatics. 2008 Oct 16;9:438. doi: 10.1186/1471-2105-9-438. BMC Bioinformatics. 2008. PMID: 18925937 Free PMC article.
MED-3DMC: a new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space.
Sperandio O, Souaille M, Delfaud F, Miteva MA, Villoutreix BO. Sperandio O, et al. Among authors: miteva ma. Eur J Med Chem. 2009 Apr;44(4):1405-9. doi: 10.1016/j.ejmech.2008.09.052. Epub 2008 Oct 21. Eur J Med Chem. 2009. PMID: 19022539
DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening.
Lagorce D, Pencheva T, Villoutreix BO, Miteva MA. Lagorce D, et al. Among authors: miteva ma. BMC Chem Biol. 2009 Nov 13;9:6. doi: 10.1186/1472-6769-9-6. BMC Chem Biol. 2009. PMID: 19912625 Free PMC article.
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