Publications

• "Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments"
E. Vanquelef, S. Simon, G. Marquant, E. Garcia, G. Klimerak, J.C. Delepine, P. Cieplak, F.-Y. Dupradeau, R.E.D. , Nucleic Acids Res., 39 (2011) W511-W517.

• "Multimeric lactoside "click clusters" as tools to investigate the effect of linker length in specific interactions with Peanut lectin, Galectin-1 and 3",
S.G. Gouin, J.M. Garcia Fernandez, E. Vanquelef, F.-Y. Dupradeau, E. Salomonsson, H. Leffler, F. Santoyo-Gonzalez, U.J. Nilsson and J. Kovenzky ChemBioChem, 2010, Published online , DOI: 10.1002/cbic.201000167

• "The anti-invasive activity of synthetic alkaloid ethoxyfagaronine on L1210 leukemia cells is mediated by down-regulation of plasminogen activators and MT1-MMP expression",
J. Devy, F. Ouchani, C. Oudot, J.-J. Helesbeux, E. Vanquelef, S. Salesse, S. Al-Khara, O. Duval, I. Letinois, L. Martiny and E. Charpentier, Inverstigantional New Drugs, 2010, published online 28 march 2010, DOI: 10.1007/s10637-010-9410-x

• "Multi-Mannosides Based on a Carbohydrate Scaffold: Synthesis, Force Field Development, Molecular Dynamics Studies, and Binding Affinities for Lectin Con A"
S. G. Gouin, E. Vanquelef, J. M. Garcia Fernandez, C. Ortiz Mellet, F.-Y. Dupradeau and J. Kovensky, Journal of Organic Chemistry, 2007, 72(24) 9032-9045, DOI: 10.1021/jo071248a

• "Synthesis and PC3 androgen-independent prostate cells antiproliferative effect of fagaronine derivatives"
E. Vanquelef, J-J Hélesbeux, O Duval, E. Debiton, C. Barthomeuf, C, Jarry, I. Forfar and P. Richomme, Journal of Enzyme Inhibition and Medicinal Chemistry, 2007, 22(5), 647-654, DOI: 10.1080/14756360701485901

• "Synthesis and Antiviral Effect against Herpes Simplex Type 1 of 12-substituted Benzo[c]phenanthridinium Salts",
E. Vanquelef, M. Amoros, J. Boustie, M. A. Lynch, R. D. Waigh and O. Duval, Journal of Enzyme Inhibition and Medicinal Chemistry, 2004, 19(6), 481- 487, DOI: 10.1080/14756360412331280518

• "In vitro metabolism of ethoxidine by human CYP1A1 and rat microsomes: identification of metabolites by high-performance liquid chromatography combined with electrospray tandem mass spectrometry and accurate mass measurements by time-of-flight mass spectrometry",
A. Deroussent, M. Ré, H. Hoellinger, E. Vanquelef, O. Duval, M. Sonnier and T. Cresteil, Rapid Communications in Mass Spectrometry, 2004, 18(4), 474-482, DOI: 10.1002/rcm.1357

• "Diastereoselective preparation of 2,4,6-trisubstituted-2-cyanopiperidines: application to the construction of the carbon framework of perhydrohistrionicotoxin"
R. Malassene, E. Vanquelef, L. Toupet, J.-P. Hurvois and C. Moinet, Organic and Biomolecular Chemistry, 2003, 1(3), 547- 551, DOI: 10.1039/ b209387a

Communications

• "RESP Charge derivation and force field topolgy database generation for complex bio-molecular systems and analogs", C. Cézard, E. Vanquelef, J. Pêcher, P. Sonnet, P. Cieplak, E. Derat and F.-Y. Dupradeau, 236th ACS National Meeting and Exposition, August 17-21, 2008, USA.

• "Attempts to functionnalize the C11 position of the benzo[c]phenanthridine backbone using the reactivity of a vinyl epoxide", J.-J. Helesbeux, E. Vanquelef, O. Duval, XIVèmes Rencontres Européennes du Groupement des Pharmacochimistes de l'Arc Atlantique (GP2A), September 15-16, 2005, Angers, France

• "Nanocristaux semi-conducteurs fluorescents : de nouveaux marqueurs biologiques", E. Vanquelef, M. A. Khan, G. Bouet, O. Duval, XIVèmes Rencontres Européennes du Groupement des Pharmacochimistes de l'Arc Atlantique (GP2A), September 15-16, 2005, Angers, France

• "Synthesis and biological evaluation of benzo[c]phenanthridines as potential antitumor agents", E. Vanquelef, J.-J. Hélesbeux, O. Duval, P. Richomme, XIIIèmes Conférences Européenes du Groupement des Pharmacochimistes de l'Arc Atlantique, September 16-17, 2004, Rennes, France

• "Identification par HPLC/ESI/MS/MS et synthèse de métabolites de l'éthoxidine", E. Vanquelef, A. Deroussent, M. Ré, H. Hoellinger, M. Sonnier, T. Cresteil O. Duval, 8ème Symposium ICSN "Natural Products and Drug Discovery", June 12-13, 2003, Gif-sur-Yvette, France

Software

• "R.E.D. Server: a web service designed to automatically derive RESP and ESP charges and to generate force field libraries for new molecules and molecular fragments", E. Vanquelef, S. Simon, G. Marquant, J.C. Delepine, P. Cieplak and F.-Y. Dupradeau, Université de Picardie Jules Verne - Sanford-Burnham Institute of Medical Research, 2009, http://q4md-forcefieldtools.org/REDS

• "Tutorials describing the use of the Ante_RED.-1.x and R.E.D. III.x programs, the R.E.DD.B database and R.E.D. Server", C. Cézard, E. Vanquelef, P. Cieplak and F.-Y. Dupradeau, Université de Picardie Jules Verne - Sanford-Burnham Institute of Medical Research, 2007, http://q4md-forcefieldtools.org/Tutorial