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Dario Estrin
Dario Estrin
university of buenos aires (UBA)- INQUIMAE - CONICET
Zweryfikowany adres z qi.fcen.uba.ar
Tytuł
Cytowane przez
Cytowane przez
Rok
When galectins recognize glycans: from biochemistry to physiology and back again
S Di Lella, V Sundblad, JP Cerliani, CM Guardia, DA Estrin, GR Vasta, ...
Biochemistry 50 (37), 7842-7857, 2011
3472011
Small clusters of water molecules using density functional theory
DA Estrin, L Paglieri, G Corongiu, E Clementi
The Journal of Physical Chemistry 100 (21), 8701-8711, 1996
2361996
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
1932012
Spectroscopy in complex environments from QM–MM simulations
UN Morzan, DJ Alonso de Armino, NO Foglia, F Ramirez, ...
Chemical reviews 118 (7), 4071-4113, 2018
1882018
A density functional study of tautomerism of uracil and cytosine
DA Estrin, L Paglieri, G Corongiu
The Journal of Physical Chemistry 98 (22), 5653-5660, 1994
1731994
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
1572006
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
1562003
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
1492011
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
1452009
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
1422005
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
Naturally occurring fluorescence in frogs
C Taboada, AE Brunetti, FN Pedron, F Carnevale Neto, DA Estrin, SE Bari, ...
Proceedings of the National Academy of Sciences 114 (14), 3672-3677, 2017
1282017
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
1162006
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
Scavenging of NO by melatonin
AG Turjanski, F Leonik, DA Estrin, RE Rosenstein, F Doctorovich
Journal of the American Chemical Society 122 (42), 10468-10469, 2000
1032000
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
1002003
Reactions of melatonin and related indoles with free radicals: a computational study
AG Turjanski, RE Rosenstein, DA Estrin
Journal of Medicinal Chemistry 41 (19), 3684-3689, 1998
1001998
Acidity and nucleophilic reactivity of glutathione persulfide
D Benchoam, JA Semelak, E Cuevasanta, M Mastrogiovanni, ...
Journal of Biological Chemistry 295 (46), 15466-15481, 2020
992020
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