Publication list
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- Gfeller D., Grosdidier A., Wirth M., Daina A., Michielin O., Zoete V.
SwissTargetPrediction: a web server for target prediction of bioactive small molecules,
Nucleic Acids Res. 2014 Jul 1; 42(Web Server issue): W32–W38 [PubMed] - Artimo P, Jonnalagedda M, Arnold K, Baratin D, Csardi G, de Castro E, Duvaud S, Flegel V, Fortier A, Gasteiger E, Grosdidier A, Hernandez C, Ioannidis V, Kuznetsov D, Liechti R, Moretti S, Mostaguir K, Redaschi N, Rossier G, Xenarios I, Stockinger H.,
ExPASy: SIB bioinformatics resource portal.,
Nucleic Acids Res. 2012 Jul;40(Web Server issue):W597-603 [PubMed] - Röhrig UF., Majjigapu SR., Grosdidier A., Bron S., Stroobant V., Pilotte L., Colau D., Vogel P., Van den Eynde BJ., Zoete V., Michielin O.,
Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition,
J Med Chem. 2012 Jun 14;55(11):5270-90. [PubMed] - Sala E, Guasch L, Iwaszkiewicz J, Mulero M, Salvadó MJ, Bladé C, Ceballos M, Valls C, Zoete V, Grosdidier A, Garcia-Vallvé S, Michielin O, Pujadas G.
Identification of human IKK-2 inhibitors of natural origin (Part II): in Silico prediction of IKK-2 inhibitors in natural extracts with known anti-inflammatory activity.,
Eur J Med Chem. 2011 Dec;46(12):6098-103. [PubMed] - Aurélien Grosdidier, Vincent Zoete, and Olivier Michielin,
SwissDock, a protein-small molecule docking web service based on EADock DSS,
J Comput Chem. 2011 May 19 [PubMed] - Aurélien Grosdidier, Vincent Zoete, and Olivier Michielin,
Fast docking using the CHARMM force field with EADock DSS,
J Comput Chem. 2011 May 3. [PubMed] - Vincent Zoete, Michel A. Cuendet, Aurélien Grosdidier and Olivier Michielin,
SwissParam: A fast force field generation tool for small organic molecules.,
J Comput Chem. 2011 May 3. [PubMed] - E. Sala, L. Guasch, J. Iwaszkiewicz, M. Mulero, MJ. Salvadó, M. Pinent, V. Zoete, A. Grosdidier, S. Garcia-Vallvé, O. Michielin and G. Pujadas
Identification of human IKK-2 inhibitors of natural origin (part I): modeling of the IKK-2 kinase domain, virtual screening and activity assays.,
PLoS One. 2011 Feb 24;6(2):e16903. [PubMed] - Vincent Zoete, Aurélien Grosdidier, Michel Cuendet, and Olivier Michielin,
Use of the FACTS solvation model for protein-ligand docking calculations. Application to EADock.,
J Mol Recognit, Jan 2010 [PubMed] - Ute Röhrig, Loay Awad, Aurélien Grosdidier, P Larrieu, V Stroobant, D Colau, V Cerundolo, AJ Simpson, P Vogel, BJ Van den Eynde, Vincent Zoete, and Olivier Michielin,
Rational design of indoleamine 2,3-dioxygenase inhibitors.,
J Med Chem, Feb 2010; 53(3): 1172-89. [PubMed] - Ute Röhrig, Aurélien Grosdidier, Vincent Zoete, and Olivier Michielin,
Docking to heme proteins,
J Comput Chem. 2009 Mar 13 [PubMed] - Vincent Zoete, Aurélien Grosdidier and Olivier Michielin,
Docking, virtual high throughput screening and in silico fragment-based drug design.,
J Cell Mol Med. 2009 Feb;13(2):238-48. Epub 2009 Jan 21. Review. [PubMed] - Aurélien Grosdidier, Vincent Zoete, and Olivier Michielin,
Blind docking of 260 protein-ligand complexes with EADock 2.0,
J Comput Chem. 2009 Jan 7 [PubMed] - Aurélien Grosdidier, Vincent Zoete, and Olivier Michielin,
EADock: docking of small molecules into protein active sites with a multiobjective evolutionary optimization,
Proteins. 2007 Jun 1;67(4):1010-25. [PubMed] - Vincent Zoete, Aurélien Grosdidier, and Olivier Michielin,
Peroxisome proliferator-activated receptor structures: Ligand specificity, molecular switch and interactions with regulators,
Biochim Biophys Acta. 2007 Aug;1771(8):915-25. Epub 2007 Jan 18. Review. [PubMed] - Bertrand Rochat, Vincent Zoete, Aurélien Grosdidier, Sandrine von Grünigen, Marc Marull, Bernard Testa, and Olivier Michielin,
In Vitro Biotransformation of Imatinib by CYP1A1 and CYP1B1: Could it Play a Role in Tumor-Specific Drug Metabolism and Disposition?,
Biopharm Drug Dispos. 2008 Mar;29(2):103-18. [PubMed] - Jérôme N. Feige, Laurent Gelman, Daniel Rossi, Vincent Zoete, Cicerone Tudor, Silvia I. Anghel, Aurélien Grosdidier, Caroline Lathion, Yves Engelborghs, Olivier Michielin, Walter Wahli, and Béatrice Desvergne,
The endocrine disruptor monoethyl-hexyl-phthalate is a selective peroxisome proliferator-activated receptor gamma modulator that promotes adipogenesis.,
J Biol Chem. 2007 Jun 29;282(26):19152-66. Epub 2007 Apr 27. [PubMed] - Pierre Chodanowski, Aurélien Grosdidier, Ernest Feytmans, and Olivier Michielin,
Local alignment refinement using structural assessment,
PLoS One. 2008 Jul 9;3(7):e2645 [PubMed] - Liliane Michalik, Vincent Zoete, Grigorios Krey, Aurélien Grosdidier, Laurent Gelman, Pierre Chodanowski, Jerome N. Feige, Beatrice Desvergne, Walter Wahli, and Olivier Michielin,
Combined simulation and mutagenesis analyses reveal the involvement of key residues for PPARalpha helix 12 dynamic behavior.
J. Biol. Chem., Jan 2007; 10.1074/jbc.M610523200. [PubMed] - Ciming Li, Aurélien Grosdidier, Gilles Crambert, Jean-Daniel Horisberger, Olivier Michielin, and Kaethi Geering,
Structural and functional interaction sites between Na,K-ATPase and FXYD proteins.
J Biol Chem. 2004 Sep 10;279(37):38895-902. [PubMed] - Orla O'Sullivan, Mark Zehnder, Des Higgins, Philipp Bucher, Aurélien Grosdidier, and Cédric Notredame,
APDB: a novel measure for benchmarking sequence alignment methods without reference alignments.
Bioinformatics 2003 19: 215i-221i. [PubMed] - Hugues Lortat-Jacob, Aurélien Grosdidier, Anne Imberty,
Structural diversity of heparan sulfate binding domains in chemokines.
Proc Natl Acad Sci U S A. 2002 Feb 5;99(3):1229-34. [PubMed] - .Rabia Sadir, Fran¸oise Baleux, Aurélien Grosdidier, Anne Imberty, and Hugues Lortat-Jacob,
Characterization of the Stromal Cell-derived Factor-1-Heparin Complex
J. Biol. Chem. 2001 276: 8288-8296. [PubMed]
