Catalysis of Peroxide Reduction by Fast Reacting Protein Thiols von Zeida, Ari, Trujillo, Madia, Ferrer-Sueta, Gerardo, Denicola, Ana, Estrin, Darío A, Radi, Rafael

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3-Nitrotyrosine and related derivatives in proteins: precursors, radical intermediates and impact in function von Campolo, Nicolás, Issoglio, Federico M, Estrin, Darío A, Bartesaghi, Silvina, Radi, Rafael

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Acidity and nucleophilic reactivity of glutathione persulfide von Benchoam, Dayana, Semelak, Jonathan A., Cuevasanta, Ernesto, Mastrogiovanni, Mauricio, Grassano, Juan S., Ferrer-Sueta, Gerardo, Zeida, Ari, Trujillo, Madia, Möller, Matías N., Estrin, Darío A., Alvarez, Beatriz

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Spectroscopy in Complex Environments from QM–MM Simulations von Morzan, Uriel N, Alonso de Armiño, Diego J, Foglia, Nicolás O, Ramírez, Francisco, González Lebrero, Mariano C, Scherlis, Damián A, Estrin, Darío A

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Aromatic–Aromatic Interactions in Proteins: Beyond the Dimer von Lanzarotti, Esteban, Biekofsky, Rolf R, Estrin, Darío A, Marti, Marcelo A, Turjanski, Adrián G

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Mechanism of Peroxynitrite Interaction with Ferric M. tuberculosis Nitrobindin: A Computational Study von Messias, Andresa, Capece, Luciana, De Simone, Giovanna, Coletta, Massimo, Ascenzi, Paolo, Estrin, Darío A.

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Novel Lennard-Jones Parameters for Cysteine and Selenocysteine in the AMBER Force Field von Pedron, Federico N., Messias, Andresa, Zeida, Ari, Roitberg, Adrián E., Estrin, Darío A.

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Minimum Free Energy Pathways of Reactive Processes with Nudged Elastic Bands von Semelak, Jonathan A., Zeida, Ari, Foglia, Nicolás O., Estrin, Darío A.

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Reactivity of Inorganic Sulfide Species toward a Heme Protein Model von Bieza, Silvina A, Boubeta, Fernando, Feis, Alessandro, Smulevich, Giulietta, Estrin, Darío A, Boechi, Leonardo, Bari, Sara E

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Evolutionary and Functional Relationships in the Truncated Hemoglobin Family von Bustamante, Juan P, Radusky, Leandro, Boechi, Leonardo, Estrin, Darío A, Ten Have, Arjen, Martí, Marcelo A

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Binding mechanism of disulfide species to ferric hemeproteins: The case of metmyoglobin von Córdova, Jonathan Alexis, Palermo, Juan Cruz, Estrin, Darío A., Bari, Sara E., Capece, Luciana

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Insights into the product release mechanism of dengue virus NS3 helicase von Adler, Natalia S, Cababie, Leila A, Sarto, Carolina, Cavasotto, Claudio N, Gebhard, Leopoldo G, Estrin, Darío A, Gamarnik, Andrea V, Arrar, Mehrnoosh, Kaufman, Sergio B

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Mechanism of Sulfide Binding by Ferric Hemeproteins von Boubeta, Fernando M, Bieza, Silvina A, Bringas, Mauro, Estrin, Darío A, Boechi, Leonardo, Bari, Sara E

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Naturally occurring fluorescence in frogs von Taboada, Carlos, Brunetti, Andrés E., Pedron, Federico N., Neto, Fausto Carnevale, Estrin, Darío A., Bari, Sara E., Chemes, Lucía B., Lopes, Norberto Peporine, Lagorio, María G., Faivovich, Julián

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When Galectins Recognize Glycans: From Biochemistry to Physiology and Back Again von Di Lella, Santiago, Sundblad, Victoria, Cerliani, Juan P, Guardia, Carlos M, Estrin, Dario A, Vasta, Gerardo R, Rabinovich, Gabriel A

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Disulfides form persulfides at alkaline pH leading to potential overestimations in the cold cyanolysis method von Benchoam, Dayana, Cuevasanta, Ernesto, Semelak, Jonathan A., Mastrogiovanni, Mauricio, Estrin, Darío A., Möller, Matías N., Alvarez, Beatriz

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Tertiary and quaternary structural basis of oxygen affinity in human hemoglobin as revealed by multiscale simulations von Bringas, Mauro, Petruk, Ariel A., Estrin, Darío A., Capece, Luciana, Martí, Marcelo A.

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In Silico Insight into the Reductive Nitrosylation of Ferric Hemeproteins von Foglia, Nicolás O, Bari, Sara E, Estrin, Darío A

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Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics Simulations von Bringas, Mauro, Lombardi, Leandro E., Luque, F. Javier, Estrin, Darío A., Capece, Luciana

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Reduction of metmyoglobin by inorganic disulfide species von Palermo, Juan Cruz, Carllinni Colombo, Melisa, Scocozza, Magalí F., Murgida, Daniel H., Estrin, Darío A., Bari, Sara E.

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