Segui
Manuel Pastor (ORCID: 0000-0001-8850-1341)
Manuel Pastor (ORCID: 0000-0001-8850-1341)
Head of Pharmacoinformatics laboratory, University Pompeu Fabra
Email verificata su upf.edu - Home page
Titolo
Citata da
Citata da
Anno
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
6322000
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
5232000
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
2652000
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
1851997
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
1601998
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
1502017
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
1261997
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
1232008
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
1182010
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
1132016
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
1102019
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
1092011
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
1012000
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
1002005
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
972004
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
832003
Reliability of comparative molecular field analysis models: effects of data scaling and variable selection using a set of human synovial fluid phospholipase A2 inhibitors
AR Ortiz, M Pastor, A Palomer, G Cruciani, F Gago, RC Wade
Journal of medicinal chemistry 40 (7), 1136-1148, 1997
761997
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
722017
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
722009
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
712018
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20