| GRid-INdependent descriptors (GRIND): a novel class of alignment-independent three-dimensional molecular descriptors M Pastor, G Cruciani, I McLay, S Pickett, S Clementi Journal of medicinal chemistry 43 (17), 3233-3243, 2000 | 644 | 2000 |
| VolSurf: a new tool for the pharmacokinetic optimization of lead compounds G Cruciani, M Pastor, W Guba European Journal of Pharmaceutical Sciences 11, S29-S39, 2000 | 537 | 2000 |
| GRID/CPCA: a new computational tool to design selective ligands MA Kastenholz, M Pastor, G Cruciani, EEJ Haaksma, T Fox Journal of Medicinal Chemistry 43 (16), 3033-3044, 2000 | 271 | 2000 |
| Smart region definition: a new way to improve the predictive ability and interpretability of three-dimensional quantitative structure− activity relationships M Pastor, G Cruciani, S Clementi Journal of medicinal chemistry 40 (10), 1455-1464, 1997 | 186 | 1997 |
| Membrane cholesterol access into a G-protein-coupled receptor R Guixà-González, JL Albasanz, I Rodriguez-Espigares, M Pastor, F Sanz, ... Nature communications 8 (1), 14505, 2017 | 168 | 2017 |
| Comparative binding energy analysis of HIV-1 protease inhibitors: incorporation of solvent effects and validation as a powerful tool in receptor-based drug design C Pérez, M Pastor, AR Ortiz, F Gago Journal of Medicinal Chemistry 41 (6), 836-852, 1998 | 161 | 1998 |
| Towards grouping concepts based on new approach methodologies in chemical hazard assessment: the read-across approach of the EU-ToxRisk project SE Escher, H Kamp, SH Bennekou, A Bitsch, C Fisher, R Graepel, ... Archives of toxicology 93, 3643-3667, 2019 | 140 | 2019 |
| A strategy for the incorporation of water molecules present in a ligand binding site into a three-dimensional quantitative structure− activity relationship analysis M Pastor, G Cruciani, KA Watson Journal of Medicinal Chemistry 40 (25), 4089-4102, 1997 | 129 | 1997 |
| Development and validation of AMANDA, a new algorithm for selecting highly relevant regions in molecular interaction fields A Duran, GC Martínez, M Pastor Journal of chemical information and modeling 48 (9), 1813-1823, 2008 | 126 | 2008 |
| Induced effects of sodium ions on dopaminergic G-protein coupled receptors J Selent, F Sanz, M Pastor, G De Fabritiis PLoS computational biology 6 (8), e1000884, 2010 | 121 | 2010 |
| Membrane omega-3 fatty acids modulate the oligomerisation kinetics of adenosine A2A and dopamine D2 receptors R Guixà-González, M Javanainen, M Gómez-Soler, B Cordobilla, ... Scientific reports 6 (1), 19839, 2016 | 120 | 2016 |
| A multiscale simulation system for the prediction of drug-induced cardiotoxicity C Obiol-Pardo, J Gomis-Tena, F Sanz, J Saiz, M Pastor Journal of chemical information and modeling 51 (2), 483-492, 2011 | 109 | 2011 |
| 3D-QSAR methods on the basis of ligand–receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands JJ Lozano, M Pastor, G Cruciani, K Gaedt, NB Centeno, F Gago, F Sanz Journal of Computer-Aided Molecular Design 14, 341-353, 2000 | 103 | 2000 |
| Anchor− grind: Filling the gap between standard 3d qsar and the grid-independent descriptors F Fontaine, M Pastor, I Zamora, F Sanz Journal of medicinal chemistry 48 (7), 2687-2694, 2005 | 101 | 2005 |
| Incorporating molecular shape into the alignment-free Grid-Independent Descriptors F Fontaine, M Pastor, F Sanz Journal of medicinal chemistry 47 (11), 2805-2815, 2004 | 98 | 2004 |
| Internationalization of read-across as a validated new approach method (NAM) for regulatory toxicology C Rovida, T Barton-Maclaren, E Benfenati, F Caloni, PC Chandrasekera, ... Altex 37 (4), 579, 2020 | 86 | 2020 |
| Surface descriptors for protein− ligand affinity prediction I Zamora, T Oprea, G Cruciani, M Pastor, AL Ungell Journal of medicinal chemistry 46 (1), 25-33, 2003 | 83 | 2003 |
| A high-throughput approach to identify specific neurotoxicants/developmental toxicants in human neuronal cell function assays J Delp, S Gutbier, S Klima, L Hoelting, K Pinto-Gil, JH Hsieh, M Aichem, ... Altex 35 (2), 235, 2018 | 79 | 2018 |
| Legacy data sharing to improve drug safety assessment: the eTOX project F Sanz, F Pognan, T Steger-Hartmann, C Díaz, eTOX, M Cases, M Pastor, ... Nature reviews Drug discovery 16 (12), 811-812, 2017 | 77 | 2017 |
| Suitability of GRIND-based principal properties for the description of molecular similarity and ligand-based virtual screening A Duran, I Zamora, M Pastor Journal of chemical information and modeling 49 (9), 2129-2138, 2009 | 77 | 2009 |
Gabriele CrucianiUniversità di PerugiaVerified email at unipg.it
