Dario Ariel Estrin (Darío A Estrin, Dario A Estrin, Darío Estrin, D A Estrin, Dario Estrin)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 30

Top Venues

Journal of chemical information and modeling

Inorganic chemistry

Biochemistry

Chemical reviews

Universidad de Buenos Aires

University of La Plata (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universidad de Buenos Aires

Argentina

Full professor :: Inorganic, Analytical and Physical Chemistry

CONICET

Argentina

Investigador superior :: INQUIMAE

Education History

University of La Plata - Jul 02 1989

Argentina

PHD :: Chemistry

Publications

Juan S Grassano, Ignacio Pickering, Adrian E Roitberg, Mariano C González Lebrero, Dario Ariel Estrin, Jonathan Alexis Semelak
Assessment of Embedding Schemes in a Hybrid Machine Learning/Classical Potentials (ML/MM) Approach. Journal of chemical information and modeling 64 (10) (2024)
Juan S Grassano, Ignacio Pickering, Adrian E Roitberg, Mariano C González Lebrero, Dario Ariel Estrin, Jonathan Alexis Semelak
Assessment of Embedding Schemes in a Hybrid Machine Learning/Classical Potentials (ML/MM) Approach. Journal of chemical information and modeling (2024)
Santiago Sastre, Bruno Manta, Jonathan Alexis Semelak, Dario Ariel Estrin, Madia Trujillo, Rafael Radi, Ari Zeida
Catalytic Mechanism of Mycobacterium tuberculosis Methionine Sulfoxide Reductase A. Biochemistry (2024)
Diego Javier Alonso de Armiño, Santiago Di Lella, Daniele Montepietra, Pietro Delcanale, Stefano Bruno, Daniela Giordano, Cinzia Verde, Dario Ariel Estrin, Cristiano Viappiani, Stefania Abbruzzetti
Kinetic and dynamical properties of truncated hemoglobins of the Antarctic bacterium Pseudoalteromonas haloplanktis TAC125. Protein science : a publication of the Protein Society 33 (7) (2024)
Santiago Sastre, Bruno Manta, Jonathan Alexis Semelak, Dario Ariel Estrin, Madia Trujillo, Rafael Radi, Ari Zeida
Catalytic Mechanism of Mycobacterium tuberculosis Methionine Sulfoxide Reductase A. Biochemistry 63 (4) (2024)
Juan S Grassano, Ignacio Pickering, Adrian E Roitberg, Mariano C González Lebrero, Dario Ariel Estrin, Jonathan Alexis Semelak
Assessment of Embedding Schemes in a Hybrid Machine Learning/Classical Potentials (ML/MM) Approach. Journal of chemical information and modeling 64 (10) (2024)
Andresa Messias, Luciana Capece, Giovanna De Simone, Massimo Coletta, Paolo Ascenzi, Dario Ariel Estrin
Mechanism of Peroxynitrite Interaction with Ferric M. tuberculosis Nitrobindin: A Computational Study. Inorganic chemistry (2024)
Diego Javier Alonso de Armiño, Santiago Di Lella, Daniele Montepietra, Pietro Delcanale, Stefano Bruno, Daniela Giordano, Cinzia Verde, Dario Ariel Estrin, Cristiano Viappiani, Stefania Abbruzzetti
Kinetic and dynamical properties of truncated hemoglobins of the Antarctic bacterium Pseudoalteromonas haloplanktis TAC125. Protein science : a publication of the Protein Society 33 (7) (2024)
Andresa Messias, Luciana Capece, Giovanna De Simone, Massimo Coletta, Paolo Ascenzi, Dario Ariel Estrin
Mechanism of Peroxynitrite Interaction with Ferric M. tuberculosis Nitrobindin: A Computational Study. Inorganic chemistry 63 (21) (2024)
Santiago Sastre, Bruno Manta, Jonathan Alexis Semelak, Dario Ariel Estrin, Madia Trujillo, Rafael Radi, Ari Zeida
Catalytic Mechanism of Mycobacterium tuberculosis Methionine Sulfoxide Reductase A. Biochemistry 63 (4) (2024)
Juan Cruz Palermo, Melisa Carllinni Colombo, Jonathan Alexis Semelak, Magalí F Scocozza, Fernando M Boubeta, Daniel H Murgida, Dario Ariel Estrin, Sara E Bari
Autocatalytic Mechanism in the Anaerobic Reduction of Metmyoglobin by Sulfide Species. Inorganic chemistry (2023)
Gonzalo Díaz Mirón, Jonathan A Semelak, Luca Grisanti, Alex Rodriguez, Irene Conti, Martina Stella, Jayaramakrishnan Velusamy, Nicola Seriani, Nadja Došlić, Ivan Rivalta, Marco Garavelli, Dario Ariel Estrin, Gabriele S Kaminski Schierle, Mariano C González Lebrero, Ali A Hassanali, Uriel N Morzan
The carbonyl-lock mechanism underlying non-aromatic fluorescence in biological matter. Nature communications 14 (1) (2023)
Federico N Pedron, Andresa Messias, Ari Zeida, Adrian E Roitberg, Dario Ariel Estrin
Novel Lennard-Jones Parameters for Cysteine and Selenocysteine in the AMBER Force Field. Journal of chemical information and modeling 63 (2) (2023)
Maria-Armineh Tossounian, Stefan Denchev Hristov, Jonathan Alexis Semelak, Bess Yi Kun Yu, Maria Baczynska, Yuhan Zhao, Dario Ariel Estrin, Madia Trujillo, Valeriy Filonenko, Jerome Gouge, Ivan Gout
A Unique Mode of Coenzyme A Binding to the Nucleotide Binding Pocket of Human Metastasis Suppressor NME1. International journal of molecular sciences 24 (11) (2023)
Federico N Pedron, Andresa Messias, Ari Zeida, Adrian E Roitberg, Dario Ariel Estrin
Novel Lennard-Jones Parameters for Cysteine and Selenocysteine in the AMBER Force Field. Journal of chemical information and modeling (2023)
Jonathan Alexis Semelak, Ari Zeida, Nicolás O Foglia, Dario Ariel Estrin
Minimum Free Energy Pathways of Reactive Processes with Nudged Elastic Bands. Journal of chemical theory and computation (2023)
Federico N Pedron, Andresa Messias, Ari Zeida, Adrian E Roitberg, Dario Ariel Estrin
Novel Lennard-Jones Parameters for Cysteine and Selenocysteine in the AMBER Force Field. Journal of chemical information and modeling 63 (2) (2023)
Maria-Armineh Tossounian, Maria Baczynska, William Dalton, Charlie Newell, Yilin Ma, Sayoni Das, Jonathan Alexis Semelak, Dario Ariel Estrin, Valeriy Filonenko, Madia Trujillo, Sew Peak Chew, Mark Skehel, Franca Fraternali, Christine Orengo, Ivan Gout
Profiling the Site of Protein CoAlation and Coenzyme A Stabilization Interactions. Antioxidants (Basel, Switzerland) 11 (7) (2022)
Federico N Pedron, Federico Issoglio, Dario Ariel Estrin, Damian A Scherlis
Electron transfer pathways from quantum dynamics simulations. The Journal of chemical physics 153 (22) (2021)
Nicolás O Foglia, Mariano C González Lebrero, Rodolfo R Biekofsky, Dario Ariel Estrin
Reaction Path Analysis from Potential Energy Contributions Using Forces: An Accessible Estimator of Reaction Coordinate Adequacy. Journal of chemical theory and computation 16 (3) (2020)
Angela Fago, Chandrasekhar Natarajan, Martín Pettinati, Federico G Hoffmann, Tobias Wang, Roy E Weber, Salvador Iván Drusin, Federico Issoglio, Marcelo A Marti, Dario Ariel Estrin, Jay F Storz
Structure and function of crocodilian hemoglobins and allosteric regulation by chloride, ATP, and CO2. American journal of physiology. Regulatory, integrative and comparative physiology 318 (3) (2020)
Nicolás O Foglia, Sara E Bari, Dario Ariel Estrin
In Silico Insight into the Reductive Nitrosylation of Ferric Hemeproteins. Inorganic chemistry 59 (6) (2020)
J A Semelak, F Battistini, Rafael Radi, M Trujillo, A Zeida, Dario Ariel Estrin
Multiscale Modeling of Thiol Overoxidation in Peroxiredoxins by Hydrogen Peroxide. Journal of chemical information and modeling 60 (2) (2019)
Ari Zeida, Madia Trujillo, Gerardo Ferrer-Sueta, Ana Denicola, Dario Ariel Estrin, Rafael Radi
Catalysis of Peroxide Reduction by Fast Reacting Protein Thiols. Chemical reviews 119 (19) (2019)
Mauro Bringas, Leandro E Lombardi, Francisco Javier Luque, Dario Ariel Estrin, Luciana Capece
Ligand Binding Rate Constants in Heme Proteins Using Markov State Models and Molecular Dynamics Simulations. Chemphyschem : a European journal of chemical physics and physical chemistry 20 (19) (2019)
Fernando M Boubeta, Leonardo Boechi, Dario Ariel Estrin, Barbara Patrizi, Mariangela Di Donato, Alessandro Iagatti, Daniela Giordano, Cinzia Verde, Stefano Bruno, Stefania Abbruzzetti, Cristiano Viappiani
Cold-Adaptation Signatures in the Ligand Rebinding Kinetics to the Truncated Hemoglobin of the Antarctic Bacterium Pseudoalteromonas haloplanktis TAC125. The journal of physical chemistry. B 122 (49) (2018)
Fernando M Boubeta, Silvina A Bieza, Mauro Bringas, Dario Ariel Estrin, Leonardo Boechi, Sara E Bari
Mechanism of Sulfide Binding by Ferric Hemeproteins. Inorganic chemistry 57 (13) (2018)
Uriel N Morzan, Diego J Alonso de Armiño, Nicolás O Foglia, Francisco Ramírez, Mariano C González Lebrero, Damian A Scherlis, Dario Ariel Estrin
Spectroscopy in Complex Environments from QM-MM Simulations. Chemical reviews 118 (7) (2018)
Laia Julió Plana, Alejandro D Nadra, Dario Ariel Estrin, Francisco Javier Luque, Luciana Capece
Thermal Stability of Globins: Implications of Flexibility and Heme Coordination Studied by Molecular Dynamics Simulations. Journal of chemical information and modeling 59 (1) (2018)
Lautaro Damián Álvarez, Adali Pecci, Dario Ariel Estrin
In Search of GABAA Receptor's Neurosteroid Binding Sites. Journal of medicinal chemistry 62 (11) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Dario Ariel Estrin (Darío A Estrin, Dario A Estrin, Darío Estrin, D A Estrin, Dario Estrin)