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| 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 | 526 | 2007 |
| 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 | 342 | 2015 |
| 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 | 310 | 2016 |
| 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 | 310 | 2008 |
| Drug repurposing: far beyond new targets for old drugs TI Oprea, J Mestres The AAPS journal 14, 759-763, 2012 | 308 | 2012 |
| 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 | 257 | 2017 |
| 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 | 248 | 2011 |
| 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 | 243 | 2009 |
| On the origins of drug polypharmacology X Jalencas, J Mestres MedChemComm 4 (1), 80-87, 2013 | 168 | 2013 |
| Structure conservation in cytochromes P450 J Mestres Proteins: Structure, Function, and Bioinformatics 58 (3), 596-609, 2005 | 134 | 2005 |
| 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 | 134 | 1997 |
| 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 | 129 | 2001 |
| SHED: Shannon entropy descriptors from topological feature distributions E Gregori-Puigjané, J Mestres Journal of chemical information and modeling 46 (4), 1615-1622, 2006 | 127 | 2006 |
| 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 | 120 | 2008 |
| Similarity‐driven flexible ligand docking X Fradera, RMA Knegtel, J Mestres Proteins: Structure, Function, and Bioinformatics 40 (4), 623-636, 2000 | 118 | 2000 |
| 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 | 111 | 2016 |
| Foundations and recent developments on molecular quantum similarity E Besalú, R Carbó, J Mestres, M Solà Molecular Similarity I, 31-62, 1995 | 107 | 1995 |
| 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 | 103 | 2006 |
| Drug‐target networks I Vogt, J Mestres Molecular Informatics 29 (1‐2), 10-14, 2010 | 97 | 2010 |