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Marcelo Marti
Marcelo Marti
Prof of Biological Chemistry, University of Buenos Aires
Verified email at qi.fcen.uba.ar
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Year
H2S and NO cooperatively regulate vascular tone by activating a neuroendocrine HNO–TRPA1–CGRP signalling pathway
M Eberhardt, M Dux, B Namer, J Miljkovic, N Cordasic, C Will, TI Kichko, ...
Nature communications 5 (1), 4381, 2014
3732014
pH-Dependent Conformational Changes in Proteins and Their Effect on Experimental pKas: The Case of Nitrophorin 4
NV Di Russo, DA Estrin, MA Martí, AE Roitberg
PLoS computational biology 8 (11), e1002761, 2012
1772012
A DFT-based QM-MM approach designed for the treatment of large molecular systems: Application to chorismate mutase
A Crespo, DA Scherlis, MA Martí, P Ordejón, AE Roitberg, DA Estrin
The Journal of Physical Chemistry B 107 (49), 13728-13736, 2003
1552003
The catalytic mechanism of peptidylglycine α-hydroxylating monooxygenase investigated by computer simulation
A Crespo, MA Martí, AE Roitberg, LM Amzel, DA Estrin
Journal of the American Chemical Society 128 (39), 12817-12828, 2006
1522006
Aromatic–aromatic interactions in proteins: beyond the dimer
E Lanzarotti, RR Biekofsky, DA Estrin, MA Marti, AG Turjanski
Journal of chemical information and modeling 51 (7), 1623-1633, 2011
1432011
Theoretical study of the truncated hemoglobin HbN: exploring the molecular basis of the NO detoxification mechanism
A Crespo, MA Martí, SG Kalko, A Morreale, M Orozco, JL Gelpi, FJ Luque, ...
Journal of the American Chemical Society 127 (12), 4433-4444, 2005
1432005
Evidence for a ferryl intermediate in a heme-based dioxygenase
A Lewis-Ballester, D Batabyal, T Egawa, C Lu, Y Lin, MA Marti, L Capece, ...
Proceedings of the National Academy of Sciences 106 (41), 17371-17376, 2009
1362009
Multiple-steering QM− MM calculation of the free energy profile in chorismate mutase
A Crespo, MA Martí, DA Estrin, AE Roitberg
Journal of the American Chemical Society 127 (19), 6940-6941, 2005
1322005
Discrimination of nitroxyl and nitric oxide by water-soluble Mn (III) porphyrins
MA Martí, SE Bari, DA Estrin, F Doctorovich
Journal of the American Chemical Society 127 (13), 4680-4684, 2005
1312005
Ligand‐induced dynamical regulation of NO conversion in Mycobacterium tuberculosis truncated hemoglobin‐N
A Bidon‐Chanal, MA Martí, A Crespo, M Milani, M Orozco, M Bolognesi, ...
Proteins: Structure, Function, and Bioinformatics 64 (2), 457-464, 2006
1132006
Dioxygen affinity in heme proteins investigated by computer simulation
MA Marti, A Crespo, L Capece, L Boechi, DE Bikiel, DA Scherlis, ...
Journal of inorganic biochemistry 100 (4), 761-770, 2006
1082006
The structural biology of galectin-ligand recognition: current advances in modeling tools, protein engineering, and inhibitor design
CP Modenutti, JIB Capurro, S Di Lella, MA Martí
Frontiers in Chemistry 7, 823, 2019
1012019
Heme protein oxygen affinity regulation exerted by proximal effects
L Capece, MA Marti, A Crespo, F Doctorovich, DA Estrin
Journal of the American Chemical Society 128 (38), 12455-12461, 2006
1012006
Fast nitroxyl trapping by ferric porphyrins
SE Bari, MA Martí, VT Amorebieta, DA Estrin, F Doctorovich
Journal of the American Chemical Society 125 (50), 15272-15273, 2003
962003
Molecular dynamics in mixed solvents reveals protein–ligand interactions, improves docking, and allows accurate binding free energy predictions
JP Arcon, LA Defelipe, CP Modenutti, ED López, D Alvarez-Garcia, ...
Journal of chemical information and modeling 57 (4), 846-863, 2017
952017
Nitroxyl (azanone) trapping by metalloporphyrins
F Doctorovich, D Bikiel, J Pellegrino, SA Suárez, A Larsen, MA Martí
Coordination Chemistry Reviews 255 (23-24), 2764-2784, 2011
942011
Trapping and Characterization of a Reaction Intermediate in Carbapenem Hydrolysis by B. cereus Metallo-β-lactamase
MF Tioni, LI Llarrull, AA Poeylaut-Palena, MA Martí, M Saggu, ...
Journal of the American Chemical Society 130 (47), 15852-15863, 2008
942008
Free energy calculations with non-equilibrium methods: applications of the Jarzynski relationship
H Xiong, A Crespo, M Marti, D Estrin, AE Roitberg
Theoretical Chemistry Accounts 116, 338-346, 2006
942006
Inhibitory effect of quercetin on matrix metalloproteinase 9 activity Molecular mechanism and structure–activity relationship of the flavonoid–enzyme interaction
AC Saragusti, MG Ortega, JL Cabrera, DA Estrin, MA Marti, ...
European journal of pharmacology 644 (1-3), 138-145, 2010
882010
Modeling heme proteins using atomistic simulations
DE Bikiel, L Boechi, L Capece, A Crespo, PM De Biase, S Di Lella, ...
Physical Chemistry Chemical Physics 8 (48), 5611-5628, 2006
882006
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