| The molecular mechanism of the catalase reaction M Alfonso-Prieto, X Biarnés, P Vidossich, C Rovira Journal of the American Chemical Society 131 (33), 11751-11761, 2009 | 601 | 2009 |
| Catalytic metal ions and enzymatic processing of DNA and RNA G Palermo, A Cavalli, ML Klein, M Alfonso-Prieto, M Dal Peraro, ... Accounts of chemical research 48 (2), 220-228, 2015 | 182 | 2015 |
| The effect of a water molecule on the mechanism of formation of compound 0 in horseradish peroxidase E Derat, S Shaik, C Rovira, P Vidossich, M Alfonso-Prieto Journal of the American Chemical Society 129 (20), 6346-6347, 2007 | 131 | 2007 |
| The molecular mechanism of the catalase-like activity in horseradish peroxidase P Campomanes, U Rothlisberger, M Alfonso-Prieto, C Rovira Journal of the American Chemical Society 137 (34), 11170-11178, 2015 | 129 | 2015 |
| High-resolution structures of the M2 channel from influenza A virus reveal dynamic pathways for proton stabilization and transduction JL Thomaston, M Alfonso-Prieto, RA Woldeyes, JS Fraser, ML Klein, ... Proceedings of the National Academy of Sciences 112 (46), 14260-14265, 2015 | 120 | 2015 |
| On the role of water in peroxidase catalysis: a theoretical investigation of HRP compound I formation P Vidossich, G Fiorin, M Alfonso-Prieto, E Derat, S Shaik, C Rovira The journal of physical chemistry B 114 (15), 5161-5169, 2010 | 118 | 2010 |
| The reaction mechanisms of heme catalases: An atomistic view by ab initio molecular dynamics M Alfonso-Prieto, P Vidossich, C Rovira Archives of biochemistry and biophysics 525 (2), 121-130, 2012 | 101 | 2012 |
| Modulation of Aβ42 fìbrillogenesis by glycosaminoglycan structure JJ Valle‐Delgado, M Alfonso‐Prieto, NS De Groot, S Ventura, J Samitier, ... The FASEB Journal 24 (11), 4250-4261, 2010 | 98 | 2010 |
| The structures and electronic configuration of compound I intermediates of Helicobacter pylori and Penicillium vitale catalases determined by X-ray crystallography and QM/MM … M Alfonso-Prieto, A Borovik, X Carpena, G Murshudov, W Melik-Adamyan, ... Journal of the American Chemical Society 129 (14), 4193-4205, 2007 | 78 | 2007 |
| Catalases versus peroxidases: DFT investigation of H2O2 oxidation in models systems and implications for heme protein engineering P Vidossich, M Alfonso-Prieto, C Rovira Journal of Inorganic Biochemistry 117, 292-297, 2012 | 66 | 2012 |
| Versatility of the electronic structure of compound I in catalase-peroxidases P Vidossich, M Alfonso-Prieto, X Carpena, PC Loewen, I Fita, C Rovira Journal of the American Chemical Society 129 (44), 13436-13446, 2007 | 65 | 2007 |
| Predicting ligand binding poses for low-resolution membrane protein models: Perspectives from multiscale simulations J Schneider, K Korshunova, F Musiani, M Alfonso-Prieto, A Giorgetti, ... Biochemical and biophysical research communications 498 (2), 366-374, 2018 | 47 | 2018 |
| An integrated biological approach to guide the development of metal-chelating inhibitors of influenza virus PA endonuclease A Stevaert, S Nurra, N Pala, M Carcelli, D Rogolino, C Shepard, ... Molecular pharmacology 87 (2), 323-337, 2015 | 43 | 2015 |
| Dual binding mode of “bitter sugars” to their human bitter taste receptor target F Fierro, A Giorgetti, P Carloni, W Meyerhof, M Alfonso-Prieto Scientific reports 9 (1), 8437, 2019 | 41 | 2019 |
| Understanding ligand binding to G-protein coupled receptors using multiscale simulations M Alfonso-Prieto, L Navarini, P Carloni Frontiers in molecular biosciences 6, 29, 2019 | 38 | 2019 |
| Role of the Axial Base in the Modulation of the Cob (I) alamin Electronic Properties: Insight from QM/MM, DFT, and CASSCF Calculations N Kumar, M Alfonso-Prieto, C Rovira, P Lodowski, M Jaworska, ... Journal of Chemical Theory and Computation 7 (5), 1541-1551, 2011 | 37 | 2011 |
| A photoswitchable GABA receptor channel blocker G Maleeva, D Wutz, K Rustler, A Nin‐Hill, C Rovira, E Petukhova, ... British journal of pharmacology 176 (15), 2661-2677, 2019 | 36 | 2019 |
| Reductive cleavage mechanism of Co− C bond in cobalamin-dependent methionine synthase M Alfonso-Prieto, X Biarnés, M Kumar, C Rovira, PM Kozlowski The Journal of Physical Chemistry B 114 (40), 12965-12971, 2010 | 35 | 2010 |
| Oxazoline or oxazolinium ion? The protonation state and conformation of the reaction intermediate of chitinase enzymes revisited J Coines, M Alfonso‐Prieto, X Biarnés, A Planas, C Rovira Chemistry–A European Journal 24 (72), 19258-19265, 2018 | 34 | 2018 |
| Proton transfer drives protein radical formation in Helicobacter pylori catalase but not in Penicillium vitale catalase M Alfonso-Prieto, H Oberhofer, ML Klein, C Rovira, J Blumberger Journal of the American Chemical Society 133 (12), 4285-4298, 2011 | 34 | 2011 |
Carme RoviraICREA Research Professor at University of BarcelonaVerified email at ub.edu
