| Toward the computational design of artificial metalloenzymes: From protein–ligand docking to multiscale approaches V Munoz Robles, E Ortega-Carrasco, L Alonso-Cotchico, ... ACS Catalysis 5 (4), 2469-2480, 2015 | 58 | 2015 |
| What can molecular modelling bring to the design of artificial inorganic cofactors? VM Robles, E Ortega-Carrasco, EG Fuentes, A Lledós, JD Maréchal Faraday Discussions 148, 137-159, 2011 | 34 | 2011 |
| Programmed stereoselective assembly of DNA-binding helical metallopeptides I Gamba, G Rama, E Ortega-Carrasco, JD Maréchal, J Martínez-Costas, ... Chemical communications 50 (76), 11097-11100, 2014 | 27 | 2014 |
| Assessing protein–ligand docking for the binding of organometallic compounds to proteins E Ortega‐Carrasco, A Lledós, JD Maréchal Journal of Computational Chemistry 35 (3), 192-198, 2014 | 25 | 2014 |
| Unravelling novel synergies between organometallic and biological partners: a quantum mechanics/molecular mechanics study of an artificial metalloenzyme E Ortega-Carrasco, A Lledos, JD Maréchal Journal of The Royal Society Interface 11 (96), 20140090, 2014 | 16 | 2014 |
| New insights into the reactivity of cisplatin with free and restrained nucleophiles: microsolvation effects and base selectivity in cisplatin–DNA interactions A de Cózar, O Larrañaga, FM Bickelhaupt, E San Sebastián, ... ChemPhysChem 17 (23), 3932-3947, 2016 | 13 | 2016 |
| Dissipation studies of famoxadone in vegetables under greenhouse conditions using liquid chromatography coupled to high‐resolution mass spectrometry: putative elucidation of a … R López‐Ruiz, R Romero‐González, E Ortega‐Carrasco, ... Journal of the Science of Food and Agriculture 99 (12), 5368-5376, 2019 | 12 | 2019 |
| The folding of a metallopeptide I Gamba, G Rama, E Ortega-Carrasco, R Berardozzi, ... Dalton Transactions 45 (3), 881-885, 2016 | 10 | 2016 |
| Understanding the interaction of an antitumoral platinum (II) 7-azaindolate complex with proteins and DNA KG Samper, V Rodríguez, E Ortega-Carrasco, S Atrian, JD Maréchal, ... Biometals 27, 1159-1177, 2014 | 9 | 2014 |
| Degradation studies of dimethachlor in soils and water by UHPLC‐HRMS: putative elucidation of unknown metabolites R López‐Ruiz, R Romero‐González, E Ortega‐Carrasco, ... Pest management science 76 (2), 721-729, 2020 | 6 | 2020 |
| Computational insights on the possibility of tri-coordinated cisplatinated adducts with protein models E Ortega-Carrasco, FP Cossío, A Lledós, JD Maréchal Journal of inorganic biochemistry 117, 230-236, 2012 | 6 | 2012 |
| Automatic Identification of Lansoprazole Degradants under Stress Conditions by LC-HRMS with MassChemSite and WebChembase S Bonciarelli, J Desantis, L Goracci, L Siragusa, I Zamora, ... Journal of Chemical Information and Modeling 61 (6), 2706-2719, 2021 | 5 | 2021 |
| Automatic MS data analysis to reveal the metabolic pathway of flonicamid in oranges I Zamora, B Serra, E Ortega-Carrasco, R Romero Gonzalez, ... ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 256, 2018 | | 2018 |
| Prediction of biometallic interactions: challenges and applications E Ortega Carrasco Universitat Autònoma de Barcelona,, 2015 | | 2015 |
Jean-Didier MaréchalAssociate Professor, Universitat Autònoma de BarcelonaVerified email at uab.cat
