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D

Darío A. Estrı́n

universidad de buenos aires

49H-index
305Paper Count
8.4KCitation Count
Published Papers 147
Publication Date
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Myoglobin-Membrane Association Facilitates Oxygen Release via Active-Site Tuning
errJournal of the American Chemical Society
IF15.6
err2026-02-04
err0
PREAI
errSantiago Di Lella; Ulises A. Zitare; Luciana Capece; Andresa Messias; Juan Cruz Palermo; Daniel H. Murgida; Sara E. Bari; Darío A. Estrin
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Membrane-Mimicking Surfaces Modulate the Heme Pocket Structure and Oxygen Affinity in Myoglobin: A Surface-Enhanced Resonance Raman Study
errColloids and Surfaces B: Biointerfaces
IF5.6
err2026-01-16
err0
PREAI
errUlises A. Zitare; Andresa Messias; Santiago Di Lella; Magalí F. Scocozza; Darío A. Estrin; Luciana Capece; Daniel H. Murgida
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errSave
Fenton-like Reactivity on Fe3O4 Nanozymes Driven by Charge Transfer and Interfacial Water (Small 3/2026)
errSmall
IF12.1
err2026-01-14
err0
errOAAI
errVerónica Muriel Sánchez; Enio Lima Jr.; Juan Santiago Grassano; Pablo Germán Lustemberg; Marco Antonio Morales Ovalle; Marcelo Vasquez Mansilla; Juan Daneri; Darío Ariel Estrin; Elin Lilian Winkler; María Verónica Ganduglia-Pirovano
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Fenton-like Reactivity on Fe3O4 Nanozymes Driven by Charge Transfer and Interfacial Water
errSMALL
IF12.1
err2025-11-01
err0
errOAAI
errSanchez, Veronica Muriel; Lima, Enio; Grassano, Juan Santiago; Lustemberg, Pablo German; Morales Ovalle, Marco Antonio; Vasquez Mansilla, Marcelo; Daneri, Juan; Estrin, Dario Ariel; Winkler, Elin Lilian; Ganduglia-pirovano, Maria Veronica
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Dissection of Nitric Oxide binding pathway in Nitrobindins reveals hidden structural details
errInternational Journal of Biological Macromolecules
IF8.5
err2025-10-19
err0
PREAI
errA. Iagatti; A. Messias; G. De Simone; F. Sebastiani; B. Patrizi; A. Bocedi; D. Estrin; P. Ascenzi; P. Foggi; M. Coletta
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Proteins and Carbon Dioxide Struggle Against Peroxynitrite
errBioFactors
IF5
err2025-07-14
err0
PREAI
errGiovanna De Simone; Alessandra di Masi; Grazia R. Tundo; Andresa Messias; Dario A. Estrin; Massimo Coletta; Paolo Ascenzi
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errSave
Exploring human carboxylesterases 1 and 2 selectivity of two families of substrates at an atomistic level
errBIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS
IF2.3
err2025-07-01
err0
PREAI
errSergio R. Ribone; Dario A. Estrin; Mario A. Quevedo
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Advancing Multiscale Molecular Modeling with Machine Learning-Derived Electrostatics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-03-01
err0
PREAI
errSemelak, Jonathan A.; Pickering, Ignacio; Huddleston, Kate; Olmos, Justo; Grassano, Juan Santiago; Clemente, Camila Mara; Drusin, Salvador I.; Marti, Marcelo; Lebrero, Mariano Camilo Gonzalez; Roitberg, Adrian E.; Estrin, Dario A.
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Mg2+ binding to coenzyme A
errARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
IF3
err2025-01-01
err0
PREAI
errSemelak, Jonathan A.; Gallo, Mariana; Flecha, F. Luis Gonzalez; Di Pino, Solana; Pertinhez, Thelma A.; Zeida, Ari; Gout, Ivan; Estrin, Dario A.; Trujillo, Madia
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A UNIQUE MODE OF COENZYME A BINDING TO THE NUCLEOTIDE BINDING POCKET OF HUMAN METASTASIS SUPPRESSOR NME1
errFREE RADICAL BIOLOGY AND MEDICINE
IF8.2
err2024-06-01
err0
errOAAI
errTossounian, Maria-Armineh; Hristov, Stefan Denchev; Alexis Semelak, Jonathan; Yu, Bess Yi Kun; Baczynska, Maria; Zhao, Yuhan; Ariel Estrin, Dario; Trujillo, Madia; Filonenko, Valeriy; Gouge, Jerome; Gout, Ivan
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Mechanism of Peroxynitrite Interaction with Ferric M. tuberculosis Nitrobindin: A Computational Study
errINORGANIC CHEMISTRY
IF4.7
err2024-05-16
err2
PREAI
errMessias, Andresa; Capece, Luciana; De Simone, Giovanna; Coletta, Massimo; Ascenzi, Paolo; Estrin, Dario
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Assessment of Embedding Schemes in a Hybrid Machine Learning/Classical Potentials (ML/MM) Approach
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-05-06
err8
PREAI
errGrassano, Juan S.; Pickering, Ignacio; Roitberg, Adrian E.; Gonzalez Lebrero, Mariano C.; Estrin, Dario A.; Semelak, Jonathan A.
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Proximal ligand tunes active site structure and reactivity in bacterial L. monocytogenes coproheme ferrochelatase
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2024-05-01
err1
errOAAI
errDali, Andrea; Sebastiani, Federico; Gabler, Thomas; Frattini, Gianfranco; Moreno, Diego M.; Estrin, Dario A.; Becucci, Maurizio; Hofbauer, Stefan; Smulevich, Giulietta
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errSave
The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter
errNATURE COMMUNICATIONS
IF15.7
err2023-11-13
err9
errOAAI
errMiron, Gonzalo Diaz; Semelak, Jonathan A.; Grisanti, Luca; Rodriguez, Alex; Conti, Irene; Stella, Martina; Velusamy, Jayaramakrishnan; Seriani, Nicola; Doslic, Nadja; Rivalta, Ivan; Garavelli, Marco; Estrin, Dario A.; Schierle, Gabriele S. Kaminski; Lebrero, Mariano C. Gonzalez; Hassanali, Ali; Morzan, Uriel N.
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Biochemical, structural and mechanistic characterization of Mycobacterium tuberculosis methionine sulfoxide reductase A
errFREE RADICAL BIOLOGY AND MEDICINE
IF8.2
err2023-11-01
err0
PREAI
errSastre, Santiago; Manta, Bruno; Semelak, Jonathan A.; Estrin, Dario; Trujillo, Madia; Radi, Rafael; Zeida, Ari
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Nitric oxide binding to ferrous nitrobindins: A computer simulation investigation
errJOURNAL OF INORGANIC BIOCHEMISTRY
IF3.2
err2023-11-01
err2
PREAI
errMessias, Andresa; Pasquadibisceglie, Andrea; Armino, Diego Alonso de; De Simone, Giovanna; Polticelli, Fabio; Coletta, Massimo; Ascenzi, Paolo; Estrin, Dario A.
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Binding mechanism of disulfide species to ferric hemeproteins: The case of metmyoglobin
errJOURNAL OF INORGANIC BIOCHEMISTRY
IF3.2
err2023-10-01
err4
PREAI
errCordova, Jonathan Alexis; Palermo, Juan Cruz; Estrin, Dario A.; Bari, Sara E.; Capece, Luciana
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Disulfides form persulfides at alkaline pH leading to potential overestimations in the cold cyanolysis method
errFREE RADICAL BIOLOGY AND MEDICINE
IF8.2
err2023-10-01
err1
PREAI
errBenchoam, Dayana; Cuevasanta, Ernesto; Semelak, Jonathan A.; Mastrogiovanni, Mauricio; Estrin, Dario A.; Moller, Matias N.; Alvarez, Beatriz
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Minimum Free Energy Pathways of Reactive Processes with Nudged Elastic Bands
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-08-30
err1
PREAI
errSemelak, Jonathan A.; Zeida, Ari; Foglia, Nicolas O.; Estrin, Dario A.
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The role of the distal cavity in carbon monoxide stabilization in the coproheme decarboxylase enzyme from C. diphtheriae
errJOURNAL OF INORGANIC BIOCHEMISTRY
IF3.2
err2023-08-01
err3
errOAAI
errSebastiani, Federico; Dali, Andrea; Armino, Diego Javier Alonso de; Campagni, Lorenzo; Patil, Gaurav; Becucci, Maurizio; Hofbauer, Stefan; Estrin, Dario A.; Smulevich, Giulietta
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Research Directions

No research directions
Co-authors
Cooperation Journals
J
Jay L. Zweíer
H-index: 109 · Papers: 752
R
Rafael Radí
H-index: 109 · Papers: 528
M
Michael J. Davies
H-index: 108 · Papers: 1.1K
B
Balaraman Kalyanaraman
H-index: 100 · Papers: 484
T
Tilman Grune
H-index: 98 · Papers: 1.2K
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