| PM01183, a new DNA minor groove covalent binder with potent in vitro and in vivo anti‐tumour activity JFM Leal, M Martínez‐Díez, V García‐Hernández, V Moneo, A Domingo, ... British journal of pharmacology 161 (5), 1099-1110, 2010 | 169 | 2010 |
| Identification of a μ-δ opioid receptor heteromer-biased agonist with antinociceptive activity I Gomes, W Fujita, A Gupta, SA Saldanha, A Negri, CE Pinello, C Eberhart, ... Proceedings of the National Academy of Sciences 110 (29), 12072-12077, 2013 | 151 | 2013 |
| Closed headpiece of integrin αIIbβ3 and its complex with an αIIbβ3-specific antagonist that does not induce opening J Zhu, J Zhu, A Negri, D Provasi, M Filizola, BS Coller, TA Springer Blood, The Journal of the American Society of Hematology 116 (23), 5050-5059, 2010 | 140 | 2010 |
| Predicting binding affinities for GPCR ligands using free-energy perturbation EB Lenselink, J Louvel, AF Forti, JPD van Veldhoven, H de Vries, ... ACS omega 1 (2), 293-304, 2016 | 132 | 2016 |
| Structure-guided design of a high-affinity platelet integrin αIIbβ3 receptor antagonist that disrupts Mg2+ binding to the MIDAS J Zhu, WS Choi, JG McCoy, A Negri, J Zhu, S Naini, J Li, M Shen, ... Science translational medicine 4 (125), 125ra32-125ra32, 2012 | 107 | 2012 |
| RUC-4: a novel αIIbβ3 antagonist for prehospital therapy of myocardial infarction J Li, S Vootukuri, Y Shang, A Negri, J Jiang, M Nedelman, TG Diacovo, ... Arteriosclerosis, thrombosis, and vascular biology 34 (10), 2321-2329, 2014 | 96 | 2014 |
| Ligand-induced modulation of the free-energy landscape of G protein-coupled receptors explored by adaptive biasing techniques D Provasi, MC Artacho, A Negri, JC Mobarec, M Filizola PLoS computational biology 7 (10), e1002193, 2011 | 95 | 2011 |
| Molecular pharmacology and antitumor activity of Zalypsis® in several human cancer cell lines JFM Leal, V García-Hernández, V Moneo, A Domingo, ... Biochemical pharmacology 78 (2), 162-170, 2009 | 93 | 2009 |
| Quantitative Analysis of Substrate Specificity of Haloalkane Dehalogenase LinB from Sphingomonas paucimobilis UT26 J Kmunícek, K Hynková, T Jedlicka, Y Nagata, A Negri, F Gago, RC Wade, ... Biochemistry 44 (9), 3390-3401, 2005 | 87 | 2005 |
| Discovery of a novel selective kappa-opioid receptor agonist using crystal structure-based virtual screening A Negri, ML Rives, MJ Caspers, TE Prisinzano, JA Javitch, M Filizola Journal of chemical information and modeling 53 (3), 521-526, 2013 | 82 | 2013 |
| Antitumor activity, X-ray crystal structure, and DNA binding properties of thiocoraline A, a natural bisintercalating thiodepsipeptide A Negri, E Marco, V García-Hernández, A Domingo, AL Llamas-Saiz, ... Journal of medicinal chemistry 50 (14), 3322-3333, 2007 | 80 | 2007 |
| αIIbβ3 variants defined by next-generation sequencing: predicting variants likely to cause Glanzmann thrombasthenia L Buitrago, A Rendon, Y Liang, I Simeoni, A Negri, ... Proceedings of the National Academy of Sciences 112 (15), E1898-E1907, 2015 | 54 | 2015 |
| 3′-[4-Aryl-(1, 2, 3-triazol-1-yl)]-3′-deoxythymidine analogues as potent and selective inhibitors of human mitochondrial thymidine kinase S Van Poecke, A Negri, F Gago, I Van Daele, N Solaroli, A Karlsson, ... Journal of medicinal chemistry 53 (7), 2902-2912, 2010 | 47 | 2010 |
| Stepwise dissection and visualization of the catalytic mechanism of haloalkane dehalogenase LinB using molecular dynamics simulations and computer graphics A Negri, E Marco, J Damborsky, F Gago Journal of Molecular Graphics and Modelling 26 (3), 643-651, 2007 | 47 | 2007 |
| Role of stacking interactions in the binding sequence preferences of DNA bis-intercalators: insight from thermodynamic integration free energy simulations E Marco, A Negri, FJ Luque, F Gago Nucleic acids research 33 (19), 6214-6224, 2005 | 47 | 2005 |
| Exploring Acyclic Nucleoside Analogues as Inhibitors of Mycobacterium tuberculosis Thymidylate Kinase O Familiar, H Munier‐Lehmann, A Negri, F Gago, D Douguet, L Rigouts, ... ChemMedChem: Chemistry Enabling Drug Discovery 3 (7), 1083-1093, 2008 | 39 | 2008 |
| Structure, physiological role, and specific inhibitors of human thymidine kinase 2 (TK2): present and future MJ Pérez‐Pérez, EM Priego, AI Hernández, O Familiar, MJ Camarasa, ... Medicinal research reviews 28 (5), 797-820, 2008 | 38 | 2008 |
| Molecular dynamics techniques for modeling G protein-coupled receptors FM McRobb, A Negri, T Beuming, W Sherman Current opinion in pharmacology 30, 69-75, 2016 | 34 | 2016 |
| Probing the dimerization interface of Leishmania infantum trypanothione reductase with site-directed mutagenesis and short peptides. MA Toro, PA Sanchez-Murcia, D Moreno, M Ruiz-Santaquiteria, JF Alzate, ... Chembiochem: a European Journal of Chemical Biology 14 (10), 1212-1217, 2013 | 32 | 2013 |
| Application of free energy perturbation (FEP+) to understanding ligand selectivity: a case study to assess selectivity between pairs of phosphodiesterases (PDE’s) F Moraca, A Negri, C de Oliveira, R Abel Journal of chemical information and modeling 59 (6), 2729-2740, 2019 | 30 | 2019 |