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D. Estrin · SciRah

Researcher profile · Semantic Scholar

D. Estrin

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D. Estrin — researcher profile on SciRah

h-index: 44
Works: 246
Citations: 6,705

Most-cited papers

Spectroscopy in Complex Environments from QM-MM Simulations.
Uriel N. Morzan, D. J. Alonso de Armiño, Nicolás O Foglia, Francisco F. Ramirez +3 more
2018Chemical Reviews158 citations Open access
Semantic Scholar
Naturally occurring fluorescence in frogs
C. Taboada, A. Brunetti, F. N. Pedron, F. Carnevale +6 more
2017Proceedings of the National Academy of Sciences of the United States of America98 citations Open access
Semantic Scholar
Catalysis of Peroxide Reduction by Fast Reacting Protein Thiols.
A. Zeida, M. Trujillo, G. Ferrer-Sueta, A. Denicola +2 more
2019Chemical Reviews88 citations Open access
Semantic Scholar
Acidity and nucleophilic reactivity of glutathione persulfide
Dayana Benchoam, J. Semelak, Ernesto Cuevasanta, M. Mastrogiovanni +7 more
2020Journal of Biological Chemistry80 citations Open access
Semantic Scholar
Structural basis of redox-dependent modulation of galectin-1 dynamics and function.
Carlos M. A. Guardia, J. Caramelo, M. Trujillo, S. Méndez-Huergo +3 more
2014Glycobiology59 citations Open access
Semantic Scholar
3-Nitrotyrosine and related derivatives in proteins: precursors, radical intermediates and impact in function.
Nicolás Campolo, F. Issoglio, D. Estrin, S. Bartesaghi +1 more
2020Essays in Biochemistry52 citations Open access
Semantic Scholar
Design, synthesis and biological evaluation of quinoxaline compounds as anti-HIV agents targeting reverse transcriptase enzyme.
Lucas E. Fabián, Marisa Taverna Porro, N. Gómez, M. Salvatori +3 more
2019European journal of medicinal chemistry47 citations Open access
Semantic Scholar
Small ligand-globin interactions: reviewing lessons derived from computer simulation.
L. Capece, L. Boechi, Laura L. Perissinotti, Pau Arroyo-Mañez +4 more
2013Biochimica et Biophysica Acta44 citations Open access
Semantic Scholar
Mechanism of the Reaction of Human Manganese Superoxide Dismutase with Peroxynitrite: Nitration of Critical Tyrosine 34.
Verónica Demicheli, D. Moreno, G. E. Jara, A. Lima +8 more
2016Biochemistry41 citations Open access
Semantic Scholar
Evolutionary and Functional Relationships in the Truncated Hemoglobin Family
Juan P. Bustamante, L. Radusky, L. Boechi, D. Estrin +2 more
2016PLoS Comput. Biol.41 citations Open access
Semantic Scholar
Insights into the mechanism of the reaction between hydrogen sulfide and peroxynitrite.
Ernesto Cuevasanta, A. Zeida, S. Carballal, Rudolf Wedmann +6 more
2015Free Radical Biology & Medicine40 citations Open access
Semantic Scholar
Tertiary and quaternary structural basis of oxygen affinity in human hemoglobin as revealed by multiscale simulations
M. Bringas, A. A. Petruk, D. Estrin, L. Capece +1 more
2017Scientific Reports39 citations Open access
Semantic Scholar
Reactivity of inorganic sulfide species toward a heme protein model.
Silvina A Bieza, F. Boubeta, A. Feis, G. Smulevich +3 more
2015Inorganic Chemistry36 citations Open access
Semantic Scholar
Thiol redox biochemistry: insights from computer simulations
A. Zeida, Carlos M. A. Guardia, Pablo Lichtig, Laura L. Perissinotti +5 more
2014Biophysical Reviews35 citations Open access
Semantic Scholar
Hemeproteins as Targets for Sulfide Species
F. Boubeta, Silvina A Bieza, M. Bringas, Juan Cruz Palermo +3 more
2020Antioxidants and Redox Signaling34 citations Open access
Semantic Scholar
Ligand uptake modulation by internal water molecules and hydrophobic cavities in hemoglobins.
Juan P. Bustamante, S. Abbruzzetti, A. Marcelli, Diego F. Gauto +8 more
2014Journal of Physical Chemistry B30 citations Open access
Semantic Scholar
Lessons learned about steered molecular dynamics simulations and free energy calculations
F. Boubeta, Rocío María Contestín García, Ezequiel Norberto Lorenzo, L. Boechi +3 more
2019Chemical Biology and Drug Design29 citations Open access
Semantic Scholar
Chemical Reactivity and Spectroscopy Explored From QM/MM Molecular Dynamics Simulations Using the LIO Code
J. P. Marcolongo, A. Zeida, J. Semelak, Nicolás O Foglia +4 more
2018Frontiers in Chemistry29 citations Open access
Semantic Scholar
Access and Binding of H2S to Hemeproteins: The Case of HbI of Lucina pectinata.
F. Boubeta, S. Bari, D. Estrin, L. Boechi
2016Journal of Physical Chemistry B29 citations Open access
Semantic Scholar
Hydrophobic Effect Drives Oxygen Uptake in Myoglobin via Histidine E7*
L. Boechi, Mehrnoosh Arrar, M. Marti, J. Olson +2 more
2013Journal of Biological Chemistry29 citations Open access
Semantic Scholar
Structural Study of a Flexible Active Site Loop in Human Indoleamine 2,3-Dioxygenase and Its Functional Implications
Lucía Álvarez, A. Lewis-Ballester, A. Roitberg, D. Estrin +3 more
2016Biochemistry26 citations Open access
Semantic Scholar
Molecular mechanism of myoglobin autoxidation: insights from computer simulations.
Juan Pablo Arcón, Pablo E. Rosi, A. A. Petruk, M. Marti +1 more
2015Journal of Physical Chemistry B26 citations Open access
Semantic Scholar
Structural flexibility of the heme cavity in the cold‐adapted truncated hemoglobin from the Antarctic marine bacterium Pseudoalteromonas haloplanktis TAC125
D. Giordano, A. Pesce, L. Boechi, Juan P. Bustamante +9 more
2015The FEBS Journal26 citations Open access
Semantic Scholar
Engineered chimeras reveal the structural basis of hexacoordination in globins: a case study of neuroglobin and myoglobin.
Ignacio Boron, L. Capece, Francesca Pennacchietti, Diana E. Wetzler +8 more
2015Biochimica et Biophysica Acta25 citations Open access
Semantic Scholar
Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
A. A. Petruk, A. Vergara, Daniela Marasco, D. Bikiel +3 more
2014Inorganic Chemistry24 citations Open access
Semantic Scholar
Mechanism of Sulfide Binding by Ferric Hemeproteins.
F. Boubeta, Silvina A Bieza, M. Bringas, D. Estrin +2 more
2018Inorganic Chemistry23 citations Open access
Semantic Scholar
Kinetics, subcellular localization, and contribution to parasite virulence of a Trypanosoma cruzi hybrid type A heme peroxidase (TcAPx-CcP)
Martín Hugo, Alejandra Martinez, M. Trujillo, D. Estrada +9 more
2017Proceedings of the National Academy of Sciences of the United States of America22 citations Open access
Semantic Scholar
PrxQ B from Mycobacterium tuberculosis is a monomeric, thioredoxin-dependent and highly efficient fatty acid hydroperoxide reductase.
Aníbal M. Reyes, D. S. Vazquez, A. Zeida, Martín Hugo +6 more
2016Free Radical Biology & Medicine22 citations Open access
Semantic Scholar
Profiling the Site of Protein CoAlation and Coenzyme A Stabilization Interactions
M. Tossounian, Maria Baczynska, W. Dalton, Charlie Newell +11 more
2022Antioxidants20 citations Open access
Semantic Scholar
Mycobacterium tuberculosis DosS binds H2S through its Fe3+ heme iron to regulate the DosR dormancy regulon
R. Sevalkar, J. Glasgow, M. Pettinati, M. Marti +7 more
2021bioRxiv20 citations Open access
Semantic Scholar
In Search of GABAA Receptor's Neurosteroid Binding Sites.
L. Álvarez, A. Pecci, D. Estrin
2019Journal of Medicinal Chemistry19 citations
Semantic Scholar
Structural Insights into the HWE Histidine Kinase Family: The Brucella Blue Light-Activated Histidine Kinase Domain.
J. Rinaldi, Mehrnoosh Arrar, G. Sycz, M. Cerutti +6 more
2016Journal of Molecular Biology19 citations Open access
Semantic Scholar
Novel Lennard-Jones Parameters for Cysteine and Selenocysteine in the AMBER Force Field
F. N. Pedron, A. Messias, A. Zeida, A. Roitberg +1 more
2023Journal of Chemical Information and Modeling18 citations
Semantic Scholar
Gating in plant plasma membrane aquaporins: the involvement of leucine in the formation of a pore constriction in the closed state
Agustina Canessa Fortuna, Gerardo Zerbetto De Palma, Lucio Aliperti Car, Luciano Armentia +4 more
2019The FEBS Journal18 citations Open access
Semantic Scholar
Theoretical investigation of the mechanism of nitroxyl decomposition in aqueous solution.
M. Bringas, J. Semelak, A. Zeida, D. Estrin
2016Journal of Inorganic Biochemistry18 citations Open access
Semantic Scholar
Possible molecular basis of the biochemical effects of cysteine-derived persulfides
Ernesto Cuevasanta, Dayana Benchoam, J. Semelak, Matías N. Möller +4 more
2022Frontiers in Molecular Biosciences17 citations Open access
Semantic Scholar
Molecular Basis of Hydroperoxide Specificity in Peroxiredoxins: The Case of AhpE from Mycobacterium tuberculosis.
A. Zeida, Aníbal M. Reyes, Pablo Lichtig, Martín Hugo +6 more
2015Biochemistry17 citations Open access
Semantic Scholar
Experimental and Theoretical Study of the High-Temperature UV-Visible Spectra of Aqueous Hydroquinone and 1,4-Benzoquinone.
F. Samiee, F. N. Pedron, D. Estrin, L. Trevani
2016Journal of Physical Chemistry B16 citations Open access
Semantic Scholar
A quantitative model for oxygen uptake and release in a family of hemeproteins
Juan P. Bustamante, María E. Szretter, M. Sued, M. Marti +2 more
2016Bioinform.16 citations Open access
Semantic Scholar
Exploring the molecular basis of neurosteroid binding to the β3 homopentameric GABAA receptor.
L. Álvarez, D. Estrin
2015Journal of Steroid Biochemistry and Molecular Biology15 citations Open access
Semantic Scholar
Structure and function of crocodilian hemoglobins and allosteric regulation by chloride, ATP and CO2.
A. Fago, Chandrasekhar Natarajan, M. Pettinati, Federico G. Hoffmann +7 more
2020American Journal of Physiology. Regulatory Integrative and Comparative Physiology14 citations Open access
Semantic Scholar
Multiscale Modeling of Thiol Overoxidation in Peroxiredoxins by Hydrogen Peroxide
J. Semelak, F. Battistini, R. Radi, M. Trujillo +2 more
2019Journal of Chemical Information and Modeling14 citations Open access
Semantic Scholar
Role of Core Electrons in Quantum Dynamics Using TDDFT.
Nicolás O Foglia, Uriel N. Morzan, D. Estrin, D. Scherlis +1 more
2017Journal of Chemical Theory and Computation14 citations Open access
Semantic Scholar
Mechanistic Insight into the Enzymatic Reduction of Truncated Hemoglobin N of Mycobacterium tuberculosis
Sandeep Singh, Naveen Thakur, Ana Oliveira, A. A. Petruk +9 more
2014Journal of Biological Chemistry14 citations Open access
Semantic Scholar
Tyrosine oxidation and nitration in transmembrane peptides is connected to lipid peroxidation.
S. Bartesaghi, D. Herrera, D. M. Martinez, A. A. Petruk +5 more
2017Archives of Biochemistry and Biophysics13 citations
Semantic Scholar
Mapping the protein-binding sites for iridium(iii)-based CO-releasing molecules.
M. Caterino, A. A. Petruk, A. Vergara, G. Ferraro +4 more
2016Dalton Transactions13 citations Open access
Semantic Scholar
Exploring the Catalytic Mechanism of Human Glutamine Synthetase by Computer Simulations.
F. Issoglio, Nicolás Campolo, A. Zeida, T. Grune +3 more
2016Biochemistry13 citations Open access
Semantic Scholar
Interplay of the H-bond donor-acceptor role of the distal residues in hydroxyl ligand stabilization of Thermobifida fusca truncated hemoglobin.
F. Nicoletti, Juan P. Bustamante, E. Droghetti, B. Howes +7 more
2014Biochemistry13 citations Open access
Semantic Scholar
Impact of human galectin-1 binding to saccharide ligands on dimer dissociation kinetics and structure.
J. M. Romero, M. Trujillo, D. Estrin, G. Rabinovich +1 more
2016Glycobiology12 citations Open access
Semantic Scholar
Quaternary structure effects on the hexacoordination equilibrium in rice hemoglobin rHb1: Insights from molecular dynamics simulations
Uriel N. Morzan, L. Capece, M. Marti, D. Estrin
2013Proteins: Structure, Function, and Bioinformatics12 citations Open access
Semantic Scholar

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