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Comparison of the Performances of the Gaussian and Cadpac-Abinitio Program Packages on Different Computers Bally, T.; Carrupt, Pierre-Alain; Weber, Jacques 1991
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Comparison of various silica-based monoliths for the analysis of large biomolecules Vuignier, Karine; Fekete, Szabolcs; Carrupt, Pierre-Alain; Veuthey, Jean-Luc; Guillarme, Davy 2013
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Computational Studies on Sirtuins from Trypanosoma cruzi: Structures, Conformations and Interactions with Phytochemicals Sacconnay, Lionel; Angleviel, Mélissa; Randazzo, Giuseppe Marco; Ferreira Queiroz, Marcos Marcal; ... Nurisso, Alessandra 2014
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Conformation, Electrostatic Potential and Pharmacophoric Pattern of Orthopramides and Other Dopamine Receptor Antagonists Testa, Bernard; Van de Waterbeemd, Hans; Carrupt, Pierre-Alain 1986
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Conformational-analysis of alpha-methoxyketones : a photoelectron spectroscopic investigation of 3-Methoxybicyclo[2.2.1]Heptan-2-Ones Cossy, J.; Pete, J. P.; Gleiter, R.; Flatow, A.; ... Vogel, Pierre 1992
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Coumarins derivatives as dual inhibitors of acetylcholinesterase and monoamine oxidase Bruhlmann, C.; Ooms, F.; Carrupt, Pierre-Alain; Testa, Bernard; ... Carotti, Angelo 2001
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Covalent modifications of antitetanus F(ab')2 fragments with natural and synthetic polyamines and their effects on the antibody endocytosis in cultured HL60 cells Hervé, Françoise; Ghinea, Nicolae; D'Athis, Philippe; Carrupt, Pierre-Alain; Scherrmann, Jean-Michel 2008
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Cyclic voltammetry for the transfer of multiple charged ions at large ITIES: General computational methodology and application to simple and facilitated ion transfer reactions Reymond, F.; Brevet, P. F.; Carrupt, Pierre-Alain; Girault, H. H. 1997
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Cyclic voltammetry of highly hydrophilic ions at a supported liquid membrane Ulmeanu, S. M.; Jensen, Henrik; Samec, Z.; Bouchard, Géraldine; ... Girault, H. H. 2002
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D-LogP: an alignment-free 3D description of local lipophilicity for QSAR studies Gomar, J.; Giraud, E.; Turner, D.; Lahana, R.; Carrupt, Pierre-Alain 2004
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DESBASE, a multiparameter substituent database Van de Waterbeemd, Hans; Carrupt, Pierre-Alain; el Tayar, Nabil 1989
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Determination of pKa values by capillary zone electrophoresis with a dynamic coating procedure Geiser, Laurent; Henchoz, Yveline; Galland, Alexandra; Carrupt, Pierre-Alain; Veuthey, Jean-Luc 2005
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Development of a capillary electrophoresis method to monitor protein oxidation and antioxidant protection Salvi, A.; Carrupt, Pierre-Alain; Testa, Bernard 1999
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Development of a two-step screening ESI-TOF-MS method for rapid determination of significant stress-induced metabolome modifications in plant leaf extracts: the wound response in Arabidopsis thaliana as a case study Grata, Elia; Boccard, Julien; Glauser, Gaétan; Carrupt, Pierre-Alain; ... Rudaz, Serge 2007
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Development of an in vitro rat intestine segmental perfusion model to investigate permeability and predict oral fraction absorbed Castella, M. E.; Reist, Marianne; Mayer, J. M.; Turban, J. J.; ... Carrupt, Pierre-Alain 2006
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Development of molecular hydrogen-bonding potentials (MHBPs) and their application to structure-permeation relations Rey, S.; Caron, Giulia; Ermondi, Giuseppe; Gaillard, Patrick; ... Testa, Bernard 2001
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Diastereoselective radical alkylations of alkyl aryl sulfoxides Zahouily, M.; Caron, Giulia; Carrupt, Pierre-Alain; Knouzi, N.; Renaud, P. 1996
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Double-bond pyramidalization in bicyclic alkanes - abinitio mo calculations on bicyclo[2.2.1]hept-2-ene, bicyclo[2.1.1]hex-2-ene and bicyclo[3.2.1]Oct-6-Ene derivatives Carrupt, Pierre-Alain; Vogel, Pierre 1985
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Drug racemization and its significance in pharmaceutical research Reist, Marianne; Testa, Bernard; Carrupt, Pierre-Alain 2003
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Drug-protein binding: a critical review of analytical tools Vuignier, Karine; Schappler, Julie; Veuthey, Jean-Luc; Carrupt, Pierre-Alain; Martel, Sophie 2010
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Dynamic modeling of chemical-reactions : the diels-alder cycloaddition Weber, Jacques; Mottier, D.; Carrupt, Pierre-Alain; Vogel, Pierre 1987
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Dynamic Modeling of Diels-Alder Reaction Using Computer-Graphics Mottier, D.; Weber, Jacques; Carrupt, Pierre-Alain; Vogel, Pierre 1987
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Dynamic representation of quantum chemical results using computer-graphics - molecular-rearrangements, art or science Weber, Jacques; Roch, M.; Combremont, J. J.; Vogel, Pierre; Carrupt, Pierre-Alain 1983
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Ecole de Pharmacie Geneve-Lausanne: A novel center of excellence in Geneva Carrupt, Pierre-Alain; Gurny, Robert 2005
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Edaravone derivatives containing NO-donor functions Chegaev, Konstantin; Cena, Clara; Giorgis, Marta; Rolando, Barbara; ... Gasco, Alberto 2009
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Effects of charge and intramolecular structure on the lipophilicity of nitrophenols Chopineaux-Courtois, V.; Reymond, F.; Bouchard, Géraldine; Carrupt, Pierre-Alain; ... Girault, H. H. 1999
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Effects of isoquinoline derivatives structurally related to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) on mitochondrial respiration McNaught, K. S.; Thull, Ulrike; Carrupt, Pierre-Alain; Altomare, Cosimo; ... Marsden, C. D. 1996
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Effects of Solvation on the Ionization and Conformation of Raclopride and Other Antidopaminergic 6-Methoxysalicylamides - Insight Into the Pharmacophore. [Erratum to document cited in CA118(7):51870w] Tsai, Ruey-Shiuan; Carrupt, Pierre-Alain; Testa, Bernard; Gaillard, Patrick; ... Hogberg, Thomas 1993
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Effects of solvation on the ionization and conformation of raclopride and other antidopaminergic 6-methoxysalicylamides: insight into the pharmacophore Tsai, Ruey-Shiuan; Carrupt, Pierre-Alain; Testa, Bernard; Gaillard, Patrick; ... Hogberg, Thomas 1993
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Electrochemical behaviour and antioxidant activity of some natural polyphenols Born, M.; Carrupt, Pierre-Alain; Zini, R.; Bree, F.; ... Testa, Bernard 1996
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Electronic and Conformational Effects on the Lipophilicity of Isomers and Analogs of the Neurotoxin 1-Methyl-4-Phenylpyridinium (Mpp+) Altomare, Cosimo; Carrupt, Pierre-Alain; el Tayar, Nabil; Testa, Bernard; Nagatsu, T. 1991
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Enantiomeric resolution of sulfoxides on a Dach-Dnb chiral stationary-phase : a quantitative structure-enantioselective retention relationship (Qserr) study Altomare, Cosimo; Carotti, Angelo; Cellamare, S.; Fanelli, F.; ... Testa, Bernard 1993
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Entacapone and tolcapone, two catechol O-methyltransferase inhibitors, block fibril formation of alpha-synuclein and beta-amyloid and protect against amyloid-induced toxicity Di Giovanni, S.; Eleuteri, S.; Paleologou, K. E.; Yin, G.; ... Lashuel, H. A. 2010
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Esterase-like activity of human serum albumin toward prodrug esters of nicotinic acid Salvi, A.; Carrupt, Pierre-Alain; Mayer, J. M.; Testa, Bernard 1997
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Esters of L-dopa: structure-hydrolysis relationships and ability to induce circling behaviour in an experimental model of hemiparkinsonism Brunner-Guenat, M.; Carrupt, Pierre-Alain; Lisa, G.; Testa, Bernard; ... Ventura, P. 1995
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Evaluation and prediction of drug permeation Pagliara, Alessandra; Reist, Marianne; Geinoz, S.; Carrupt, Pierre-Alain; Testa, Bernard 1999
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Evidence for the existence of [3H]-trimetazidine binding sites involved in the regulation of the mitochondrial permeability transition pore Morin, D.; Elimadi, A.; Sapena, R.; Crevat, A.; ... Tillement, J. P. 1998
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Experimental and Abinitio Molecular-Orbital Studies on Collisions of Ch4+. and Ch5+ with Molecular-Oxygen - on the Formation of Methane (Ch4(2+)) and Methonium (Ch5(2+)) Dications and Stable Chn-Species (N = 0-3) Stahl, D.; Maquin, F.; Gaumann, T.; Schwarz, H.; ... Vogel, Pierre 1985
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Experimental and Theoretical-Studies on the Homoconjugation in Bicyclic Carbenium and Oxonium Ions in the Gas-Phase Houriet, R.; Schwitzguebel, T.; Carrupt, Pierre-Alain; Vogel, Pierre 1986
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Experimental and virtual physicochemical and pharmacokinetic profiling of new chemical entities Martel, Sophie; Castella, M. E.; Bajot, F.; Ottaviani, G.; ... Carrupt, Pierre-Alain 2005
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Exploration of the pharmacophore of 3-alkyl-5-arylimidazolidinediones as new CB(1) cannabinoid receptor ligands and potential antagonists: synthesis, lipophilicity, affinity, and molecular modeling Ooms, F.; Wouters, J.; Oscari, O.; Happaerts, T.; ... Lambert, D. M. 2002
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Exploration of the pharmacophore of 3-alkyl-5-arylimidazolidinediones as new CB1 cannabinoid receptor ligands and potential antagonists: Synthesis, lipophilicity, affinity, and molecular modeling : additions and corrections Ooms, F.; Wouters, J.; Oscari, O.; Happaerts, T.; ... Lambert, D. M. 2002
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Face Selectivity in the Diels-Alder Additions and Chelotropic Addition of Sulfur-Dioxide to 2-(D)Methylidene-3-Methylidenebicyclo[2.2.1]Heptane Carrupt, Pierre-Alain; Berchier, F.; Vogel, Pierre 1985
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Facilitated ion transfer reactions across oil vertical bar water interfaces. Part I. Algebraic development and calculation of cyclic voltammetry experiments for successive complex formation Reymond, F.; Carrupt, Pierre-Alain; Girault, H. H. 1998
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Facilitated ion transfer reactions across oil/water interfaces - Part II. Use of the convoluted current for the calculation of the association constants and for an amperometric determination of the stoichiometry of MLjz+ complexes Reymond, F.; Lagger, G.; Carrupt, Pierre-Alain; Girault, H. H. 1998
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Fast determination of lipophilicity by HPLC Ayouni, L.; Cazorla, G.; Chaillou, D.; Herbreteau, B.; ... Carrupt, Pierre-Alain 2005
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Fast log P determination by ultra-high-pressure liquid chromatography coupled with UV and mass spectrometry detections Henchoz, Yveline; Guillarme, Davy; Martel, Sophie; Rudaz, Serge; ... Carrupt, Pierre-Alain 2009
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Ferulenol specifically inhibits succinate ubiquinone reductase at the level of the ubiquinone cycle Lahouel, M.; Zini, R.; Zellagui, A.; Rhouati, S.; ... Morin, D. 2007
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Fluoride curcumin derivatives: new mitochondrial uncoupling agents Ligeret, H.; Barthelemy, S.; Bouchard, Géraldine; Carrupt, Pierre-Alain; ... Morin, D. 2004
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Generalization of ionic partition diagrams to lipophilic compounds and to biphasic systems with variable phase volume ratios Gobry, V.; Ulmeanu, S. M.; Reymond, F.; Bouchard, Géraldine; ... Girault, H. H. 2001
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