Mercedes Alfonso Prieto

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	All	Since 2016
Citations	1310	777
h-index	19	14
i10-index	27	20

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2007200820092010201120122013201420152016201720182019202020217 28 37 32 55 85 72 77 124 144 108 136 167 184 36

Co-authors

Carme RoviraICREA Research Professor at University of BarcelonaVerified email at ub.edu
Michael L KleinTemple UniversityVerified email at temple.edu
Paolo CarloniForschungszentrum JülichVerified email at fz-juelich.de
Alejandro GiorgettiAssociate professor, Biochemistry, University of VeronaVerified email at univr.it
Xevi BiarnésAssociate Professor, IQS School of Engineering, Universitat Ramon LlullVerified email at iqs.url.edu
Giacomo FiorinStaff scientist, National Institutes of HealthVerified email at nih.gov
I. FitaIBMB CSICVerified email at ibmb.csic.es
William DeGradoUCSFVerified email at UCSF.edu
Jessica ThomastonPhD, University of California, San FranciscoVerified email at ucsf.edu
Sason ShaikProfessor of Chemistry, Institute of Chemistry, The Hebrew University of JerusalemVerified email at yfaat.ch.huji.ac.il
Rahel A. WoldeyesPostdoctoral Research Fellow - Stanford UniversityVerified email at stanford.edu
James Solomon FraserProfessor, University of California San FranciscoVerified email at ucsf.edu
Pablo CampomanesResearch Scientist, University of FribourgVerified email at unifr.ch
Ursula RothlisbergerProfessor of Computational Chemistry and BiochemistryVerified email at epfl.ch
Jakob SchneiderForschungszentrum Jülich GmbHVerified email at fz-juelich.de
Marco De VivoIstituto Italiano di TecnologiaVerified email at iit.it
Giulia PalermoAssistant Professor, University of California RiversideVerified email at ucr.edu
Matteo Dal PeraroEcole Polytechnique Fédérale de Lausanne, EPFL - Institute of Bioengineering, School of LifeVerified email at epfl.ch
Pau GorostizaICREA Research Professor at the Institute for Bioengineering of Catalonia (IBEC), The BarcelonaVerified email at ibecbarcelona.eu
Burkhard KoenigProfessur für Chemie, Universität RegensburgVerified email at chemie.uni-regensburg.de

Mercedes Alfonso Prieto

Forschungszentrum Jülich & Heinrich-Heine-Universität Düsseldorf

Verified email at fz-juelich.de - Homepage

Simulations Modeling


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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	254	2009
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	104	2007
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	95	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	85	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	74	2015
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	73	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	66	2012
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	63	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	60	2015
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	52	2007
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	33	2015
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	32	2012
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	27	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	25	2011
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	23	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	23	2011
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	21	2018
The dynamic role of distal side residues in heme hydroperoxidase catalysis. Interplay between X-ray crystallography and ab initio MD simulations P Vidossich, M Alfonso-Prieto, X Carpena, I Fita, PC Loewen, C Rovira Archives of biochemistry and biophysics 500 (1), 37-44, 2010	21	2010
Magnesium-dependent RNA binding to the PA endonuclease domain of the avian influenza polymerase S Xiao, ML Klein, DN LeBard, BG Levine, H Liang, CM MacDermaid, ... The journal of physical chemistry B 118 (4), 873-889, 2014	20	2014
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	18	2018

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