| Title | Authors / Editors | Date |
unige:121591 |
A graphical similarity function to help ligand docking to proteins based on the molecular lipophilicity potential : the case of the D2 dopamine receptor |
Carrupt, Pierre-Alain; Raynaud, Isabelle; McLoughlin, David; Bouchard, Géraldine; ... Testa, Bernard |
2004 |
unige:10576 |
Binding of arylpiperazines, (aryloxy)propanolamines, and tetrahydropyridylindoles to the 5-HT1A receptor: contribution of the molecular lipophilicity potential to three-dimensional quantitative structure-affinity relationship models |
Gaillard, Patrick; Carrupt, Pierre-Alain; Testa, Bernard; Schambel, P. |
1996 |
unige:10634 |
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 |
unige:10662 |
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 |
unige:10663 |
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 |
unige:10661 |
Inhibition of monoamine oxidase by isoquinoline derivatives. Qualitative and 3D-quantitative structure-activity relationships |
Thull, Ulrike; Kneubuhler, S.; Gaillard, Patrick; Carrupt, Pierre-Alain; ... McNaught, K. S. |
1995 |
unige:10595 |
Inhibition of monoamine oxidase-B by 5H-indeno[1,2-c]pyridazines: biological activities, quantitative structure-activity relationships (QSARs) and 3D-QSARs |
Kneubuhler, S.; Thull, Ulrike; Altomare, Cosimo; Carta, V.; ... Testa, Bernard |
1995 |
unige:9977 |
Intermolecular forces expressed in 1,2-dichloroethane-water partition coefficients - A solvatochromic analysis |
Steyaert, G.; Lisa, G.; Gaillard, Patrick; Boss, G.; ... Testa, Bernard |
1997 |
unige:10546 |
Ionization and partitioning profiles of zwitterions: The case of the anti-inflammatory drug azapropazone |
Caron, Giulia; Pagliara, Alessandra; Gaillard, Patrick; Carrupt, Pierre-Alain; Testa, Bernard |
1996 |
unige:10588 |
Ligand specificity of the genetic variants of human alpha1-acid glycoprotein: generation of a three-dimensional quantitative structure-activity relationship model for drug binding to the A variant |
Herve, F.; Caron, Giulia; Duche, J. C.; Gaillard, Patrick; ... Testa, Bernard |
1998 |
unige:10547 |
Lipophilicity behavior of model and medicinal compounds containing a sulfide, sulfoxide, or sulfone moiety |
Caron, Giulia; Gaillard, Patrick; Carrupt, Pierre-Alain; Testa, Bernard |
1997 |
unige:9983 |
Lipophilicity in molecular modeling |
Testa, Bernard; Carrupt, Pierre-Alain; Gaillard, Patrick; Billois, F.; Weber, P. |
1996 |
unige:10624 |
Lipophilicity Profiles of Ampholytes |
Pagliara, Alessandra; Carrupt, Pierre-Alain; Caron, Giulia; Gaillard, Patrick; Testa, Bernard |
1997 |
unige:9905 |
Molecular lipophilicity potential (MLP) in drug design. Complementing theoretical tools with experimental results |
Carrupt, Pierre-Alain; Gaillard, Patrick; Billois, F.; Weber, P.; Testa, Bernard |
1996 |
unige:3980 |
Molecular lipophilicity potential, a tool in 3D QSAR: method and applications |
Gaillard, Patrick; Carrupt, Pierre-Alain; Testa, Bernard; Boudon, Alain |
1994 |
unige:9982 |
Molecular modeling in drug design : funny, futile, Or fertile |
Testa, Bernard; Carrupt, Pierre-Alain; Gaillard, Patrick |
1994 |
unige:10582 |
Natural and synthetic xanthones as monoamine oxidase inhibitors: Biological assay and 3D-QSAR |
Gnerre, Carmela; Thull, Ulrike; Gaillard, Patrick; Carrupt, Pierre-Alain; ... Cruciani, Gabriele |
2001 |
unige:10530 |
Quantitative structure-metabolism relationship analyses of MAO-mediated toxication of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine and analogues |
Altomare, Cosimo; Carrupt, Pierre-Alain; Gaillard, Patrick; el Tayar, Nabil; ... Carotti, Angelo |
1992 |
unige:9955 |
Solvatochromic analysis of di-n-butyl ether/water partition coefficients as compared to other solvent systems |
Pagliara, Alessandra; Caron, Giulia; Lisa, G.; Fan, W. Z.; ... Abraham, M. H. |
1997 |
unige:9949 |
Stabilization of the hydrophilic sphere of iobitridol, an iodinated contrast agent, as revealed by experimental and computational investigations |
Meyer, D.; Fouchet, M. H.; Petta, M.; Carrupt, Pierre-Alain; ... Testa, Bernard |
1995 |