| 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 | 175 | 2010 |
| Preclinical candidate for the treatment of visceral leishmaniasis that acts through proteasome inhibition S Wyllie, S Brand, M Thomas, M De Rycker, C Chung, I Pena, ... Proceedings of the National Academy of Sciences 116 (19), 9318-9323, 2019 | 125 | 2019 |
| Lysyl-tRNA synthetase as a drug target in malaria and cryptosporidiosis B Baragaña, B Forte, R Choi, S Nakazawa Hewitt, JA Bueren-Calabuig, ... Proceedings of the National Academy of Sciences 116 (14), 7015-7020, 2019 | 105 | 2019 |
| 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 | 95 | 2009 |
| Temperature-induced melting of double-stranded DNA in the absence and presence of covalently bonded antitumour drugs: insight from molecular dynamics simulations JA Bueren-Calabuig, C Giraudon, CM Galmarini, JM Egly, F Gago Nucleic acids research 39 (18), 8248-8257, 2011 | 70 | 2011 |
| Molecular basis of RNA guanine-7 methyltransferase (RNMT) activation by RAM D Varshney, AP Petit, JA Bueren-Calabuig, C Jansen, DA Fletcher, ... Nucleic acids research 44 (21), 10423-10436, 2016 | 60 | 2016 |
| XPF-dependent DNA breaks and RNA polymerase II arrest induced by antitumor DNA interstrand crosslinking-mimetic alkaloids S Feuerhahn, C Giraudon, M Martínez-Díez, JA Bueren-Calabuig, ... Chemistry & biology 18 (8), 988-999, 2011 | 54 | 2011 |
| Elucidation of ligand-dependent modulation of disorder-order transitions in the oncoprotein MDM2 JA Bueren-Calabuig, J Michel PLoS computational biology 11 (6), e1004282, 2015 | 26 | 2015 |
| The Qi Site of Cytochrome b is a Promiscuous Drug Target in Trypanosoma cruzi and Leishmania donovani RJ Wall, S Carvalho, R Milne, JA Bueren-Calabuig, S Moniz, ... ACS infectious diseases 6 (3), 515-528, 2020 | 25 | 2020 |
| Mechanism of allosteric activation of human mRNA cap methyltransferase (RNMT) by RAM: insights from accelerated molecular dynamics simulations JA Bueren-Calabuig, M G. Bage, VH Cowling, AV Pisliakov Nucleic Acids Research 47 (16), 8675-8692, 2019 | 25 | 2019 |
| Impact of Ser17 phosphorylation on the conformational dynamics of the oncoprotein MDM2 JA Bueren-Calabuig, J Michel Biochemistry 55 (17), 2500-2509, 2016 | 23 | 2016 |
| Rationale for the opposite stereochemistry of the major monoadducts and interstrand crosslinks formed by mitomycin C and its decarbamoylated analogue at CpG steps in DNA and … JA Bueren-Calabuig, A Negri, A Morreale, F Gago Organic & Biomolecular Chemistry 10 (8), 1543-1552, 2012 | 23 | 2012 |
| Unraveling the Differences of the Hydrolytic Activity of Trypanosoma cruzi trans-Sialidase and Trypanosoma rangeli Sialidase: A Quantum Mechanics–Molecular … JA Bueren-Calabuig, G Pierdominici-Sottile, AE Roitberg The Journal of Physical Chemistry B 118 (22), 5807-5816, 2014 | 19 | 2014 |
| Stepwise Simulation of 3,5-Dihydro-5-methylidene-4H-imidazol-4-one (MIO) Biogenesis in Histidine Ammonia-lyase PA Sánchez-Murcia, JA Bueren-Calabuig, M Camacho-Artacho, ... Biochemistry 55 (41), 5854-5864, 2016 | 16 | 2016 |
| Mechanistic Insight into the Catalytic Activity of ββα‐Metallonucleases from Computer Simulations: Vibrio vulnificus Periplasmic Nuclease as a Test Case JA Bueren‐Calabuig, C Coderch, E Rico, A Jiménez‐Ruiz, F Gago ChemBioChem 12 (17), 2615-2622, 2011 | 14 | 2011 |
| Instability of aquaglyceroporin (AQP) 2 contributes to drug resistance in Trypanosoma brucei JF Quintana, J Bueren-Calabuig, F Zuccotto, HP de Koning, D Horn, ... PLoS Neglected Tropical Diseases 14 (7), e0008458, 2020 | 13 | 2020 |
| A structural study of the complex between neuroepithelial cell transforming gene 1 (Net1) and RhoA reveals a potential anticancer drug hot spot AP Petit, C Garcia-Petit, JA Bueren-Calabuig, LM Vuillard, G Ferry, ... Journal of Biological Chemistry 293 (23), 9064-9077, 2018 | 7 | 2018 |
| Dinámica molecular JA Bueren-Calabuig URL https://doi. org/10.5281/zenodo 1066360, 2014 | 5 | 2014 |
| Modelado molecular de la interacción de fármacos antitumorales y nucleasas con el ADN JAB Calabuig Modelado molecular de la interacción de fármacos antitumorales y nucleasas …, 2011 | 1 | 2011 |
| Early stages of Parkin activation-A computational study CC Dos Santos, J Bueren-Calabuig, A Kumar, H Walden, A Pisliakov European Biophysics Journal 46 (Suppl 1), S155, 2017 | | 2017 |
