Mercedes Alfonso Prieto
Mercedes Alfonso Prieto
Patvirtintas el. paštas - Pagrindinis puslapis
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Agonist binding to chemosensory receptors: a systematic bioinformatics analysis
F Fierro, E Suku, M Alfonso-Prieto, A Giorgetti, S Cichon, P Carloni
Frontiers in molecular biosciences 4, 63, 2017
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
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
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Straipsniai 1–20