2D QSAR consensus prediction for high-throughput virtual screening. An application to COX-2 inhibition modeling and screening of the NCI database N Baurin, JC Mozziconacci, E Arnoult, P Chavatte, C Marot, L Morin-Allory Journal of chemical information and computer sciences 44 (1), 276-285, 2004 | 125 | 2004 |
The evaporative light scattering detector-a universal instrument for non-volatile solutes in LC and SFC M Dreux, M Lafosse, L Morin-Allory LC GC INTERNATIONAL 9, 148-156, 1996 | 117 | 1996 |
The advantages of evaporative light scattering detection in pharmaceutical analysis by high performance liquid chromatography and supercritical fluid chromatography M Lafosse, C Elfakir, L Morin‐Allory, M Dreux Journal of High Resolution Chromatography 15 (5), 312-318, 1992 | 110 | 1992 |
α-, β-, and γ-cyclodextrin dimers. Molecular modeling studies by molecular mechanics and molecular dynamics simulations P Bonnet, C Jaime, L Morin-Allory The Journal of Organic Chemistry 66 (3), 689-692, 2001 | 94 | 2001 |
Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers A Monge, A Arrault, C Marot, L Morin-Allory Molecular diversity 10, 389-403, 2006 | 82 | 2006 |
Structure and thermodynamics of α-, β-, and γ-cyclodextrin dimers. Molecular dynamics studies of the solvent effect and free binding energies P Bonnet, C Jaime, L Morin-Allory The Journal of Organic Chemistry 67 (24), 8602-8609, 2002 | 82 | 2002 |
Insights into chiral recognition mechanisms in supercritical fluid chromatography. II. Factors contributing to enantiomer separation on tris-(3, 5-dimethylphenylcarbamate) of … C West, G Guenegou, Y Zhang, L Morin-Allory Journal of Chromatography A 1218 (15), 2033-2057, 2011 | 70 | 2011 |
Optimization and validation of a docking-scoring protocol; application to virtual screening for COX-2 inhibitors JC Mozziconacci, E Arnoult, P Bernard, QT Do, C Marot, L Morin-Allory Journal of medicinal chemistry 48 (4), 1055-1068, 2005 | 68 | 2005 |
3D-QSAR CoMFA study on imidazolinergic I2 ligands: a significant model through a combined exploration of structural diversity and methodology N Baurin, E Vangrevelinghe, L Morin-Allory, JY Mérour, P Renard, ... Journal of medicinal chemistry 43 (6), 1109-1122, 2000 | 66 | 2000 |
High performance liquid chromatography of raw sugars and polyols using bonded silica gels B Herbreteau, M Lafosse, L Morin-Allory, M Dreux Chromatographia 33, 325-330, 1992 | 62 | 1992 |
Pharmacophoric search and 3D-QSAR comparative molecular field analysis studies on agonists of melatonin sheep receptors C Marot, P Chavatte, L Morin-Allory, MC Viaud, G Guillaumet, P Renard, ... Journal of medicinal chemistry 41 (23), 4453-4465, 1998 | 61 | 1998 |
3-Amino-3,4-dihydro-2H-1-benzopyran Derivatives as 5-HT1A Receptor Ligands and Potential Anxiolytic Agents. 2. Synthesis and Quantitative Structure−Activity … C Comoy, C Marot, T Podona, ML Baudin, L Morin-Allory, G Guillaumet, ... Journal of medicinal chemistry 39 (21), 4285-4298, 1996 | 59 | 1996 |
Champs d'application d'un nouveau détecteur évaporatif á diffusion de lumière pour la chromatographie liquide hautes performances et la chromatographie en phase supercritique M Lafosse, M Dreux, L Morin-Allory Journal of Chromatography A 404, 95-105, 1987 | 57 | 1987 |
Prediction of explosives impact sensitivity M Vaullerin, A Espagnacq, L Morin‐Allory Propellants, Explosives, Pyrotechnics 23 (5), 237-239, 1998 | 54 | 1998 |
Ligand-escape pathways from the ligand-binding domain of PPARγ receptor as probed by molecular dynamics simulations D Genest, N Garnier, A Arrault, C Marot, L Morin-Allory, M Genest European Biophysics Journal 37, 369-379, 2008 | 52 | 2008 |
Insights into chiral recognition mechanisms in supercritical fluid chromatography. I. Non-enantiospecific interactions contributing to the retention on tris-(3, 5 … C West, Y Zhang, L Morin-Allory Journal of Chromatography A 1218 (15), 2019-2032, 2011 | 50 | 2011 |
Reverse pharmacognosy: identifying biological properties for plants by means of their molecule constituents: application to meranzin QT Do, C Lamy, I Renimel, N Sauvan, P André, F Himbert, L Morin-Allory, ... Planta medica 73 (12), 1235-1240, 2007 | 48 | 2007 |
Supercritical fluid chromatography of carbohydrates M Lafosse, B Herbreteau, L Morin-Allory Journal of Chromatography A 720 (1-2), 61-73, 1996 | 47 | 1996 |
Controle de certains systemes de chromatographie liquide haute performance à láide d'un détecteur évaporatif à diffusion de lumière M Lafosse, B Herbreteau, M Dreux, L Morin-Allory Journal of Chromatography A 472, 209-218, 1989 | 43 | 1989 |
Factor analysis and experiment design in high-performance liquid chromatography: I. Trends in selectivity of 53 chalcones in reversed-phase high-performance liquid … B Walczak, M Dreux, JR Chretien, K Szymoniak, M Lafosse, ... Journal of Chromatography A 353, 109-121, 1986 | 43* | 1986 |