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Jordi Mestres
Jordi Mestres
Chemotargets SL
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Tittel
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In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling
S Ekins, J Mestres, B Testa
British journal of pharmacology 152 (1), 9-20, 2007
8692007
In silico pharmacology for drug discovery: applications to targets and beyond
S Ekins, J Mestres, B Testa
British journal of pharmacology 152 (1), 21-37, 2007
5062007
In silico prescription of anticancer drugs to cohorts of 28 tumor types reveals targeting opportunities
C Rubio-Perez, D Tamborero, MP Schroeder, AA Antolín, J Deu-Pons, ...
Cancer cell 27 (3), 382-396, 2015
3342015
Data completeness—the Achilles heel of drug-target networks
J Mestres, E Gregori-Puigjane, S Valverde, RV Sole
Nature biotechnology 26 (9), 983-984, 2008
3032008
Drug repurposing: far beyond new targets for old drugs
TI Oprea, J Mestres
The AAPS journal 14, 759-763, 2012
2982012
Open source drug discovery with the malaria box compound collection for neglected diseases and beyond
WC Van Voorhis, JH Adams, R Adelfio, V Ahyong, MH Akabas, P Alano, ...
PLoS pathogens 12 (7), e1005763, 2016
2952016
MeDALL (Mechanisms of the Development of ALLergy): an integrated approach from phenotypes to systems medicine
J Bousquet, J Anto, C Auffray, M Akdis, A Cambon‐Thomsen, T Keil, ...
Allergy 66 (5), 596-604, 2011
2452011
Mechanisms of the Development of Allergy (MeDALL): Introducing novel concepts in allergy phenotypes
JM Anto, J Bousquet, M Akdis, C Auffray, T Keil, I Momas, DS Postma, ...
Journal of Allergy and Clinical Immunology 139 (2), 388-399, 2017
2392017
The topology of drug–target interaction networks: implicit dependence on drug properties and target families
J Mestres, E Gregori-Puigjané, S Valverde, RV Solé
Molecular BioSystems 5 (9), 1051-1057, 2009
2382009
On the origins of drug polypharmacology
X Jalencas, J Mestres
MedChemComm 4 (1), 80-87, 2013
1622013
MIMIC: A molecular‐field matching program. Exploiting applicability of molecular similarity approaches
J Mestres, DC Rohrer, GM Maggiora
Journal of Computational Chemistry 18 (7), 934-954, 1997
1331997
Structure conservation in cytochromes P450
J Mestres
Proteins: Structure, Function, and Bioinformatics 58 (3), 596-609, 2005
1282005
Mechanism of the Addition Reaction of Alkyl Azides to [60]Fullerene and the Subsequent N2 Extrusion to Form Monoimino-[60]fullerenes
M Cases, M Duran, J Mestres, N Martín, M Solà
The Journal of Organic Chemistry 66 (2), 433-442, 2001
1272001
SHED: Shannon entropy descriptors from topological feature distributions
E Gregori-Puigjané, J Mestres
Journal of chemical information and modeling 46 (4), 1615-1622, 2006
1202006
A ligand-based approach to mining the chemogenomic space of drugs
E Gregori-Puigjané, J Mestres
Combinatorial chemistry & high throughput screening 11 (8), 669-676, 2008
1192008
Similarity‐driven flexible ligand docking
X Fradera, RMA Knegtel, J Mestres
Proteins: Structure, Function, and Bioinformatics 40 (4), 623-636, 2000
1172000
Paving the way of systems biology and precision medicine in allergic diseases: the Me DALL success story: Mechanisms of the Development of ALL ergy; EU FP 7‐CP‐IP; Project No …
J Bousquet, JM Anto, M Akdis, C Auffray, T Keil, I Momas, DS Postma, ...
Allergy 71 (11), 1513-1525, 2016
1092016
Foundations and recent developments on molecular quantum similarity
E Besalú, R Carbó, J Mestres, M Solà
Molecular Similarity I, 31-62, 1995
1071995
Ligand-based approach to in silico pharmacology: nuclear receptor profiling
J Mestres, L Martín-Couce, E Gregori-Puigjané, M Cases, S Boyer
Journal of chemical information and modeling 46 (6), 2725-2736, 2006
1002006
Drug‐target networks
I Vogt, J Mestres
Molecular Informatics 29 (1‐2), 10-14, 2010
972010
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Artikler 1–20