Dario A. Estrin

Publication Activity (10 Years)

Years Active: 2011-2024
Publications (10 Years): 6

Top Topics

Terms Of Computational Efficiency

Multiscale Representation

Top Venues

J. Chem. Inf. Model.

PLoS Comput. Biol.

Publications

Juan S. Grassano, Ignacio Pickering, Adrian E. Roitberg, Mariano C. González Lebrero, Dario A. Estrin, Jonathan Alexis Semelak
Assessment of Embedding Schemes in a Hybrid Machine Learning/Classical Potentials (ML/MM) Approach. J. Chem. Inf. Model. 64 (10) (2024)
Federico N. Pedron, Andresa Messias, Ari Zeida, Adrian E. Roitberg, Dario A. Estrin
Novel Lennard-Jones Parameters for Cysteine and Selenocysteine in the AMBER Force Field. J. Chem. Inf. Model. 63 (2) (2023)
Jonathan Alexis Semelak, Federica Battistini, Rafael Radi, Madia Trujillo, Ari Zeida, Dario A. Estrin
Multiscale Modeling of Thiol Overoxidation in Peroxiredoxins by Hydrogen Peroxide. J. Chem. Inf. Model. 60 (2) (2020)
Laia Julió Plana, Alejandro D. Nadra, Dario A. Estrin, F. Javier Luque, Luciana Capece
Thermal Stability of Globins: Implications of Flexibility and Heme Coordination Studied by Molecular Dynamics Simulations. J. Chem. Inf. Model. 59 (1) (2019)
Juan P. Bustamante, Leandro G. Radusky, Leonardo Boechi, Dario A. Estrin, Arjen ten Have, Marcelo A. Marti
Evolutionary and Functional Relationships in the Truncated Hemoglobin Family. PLoS Comput. Biol. 12 (1) (2016)
Juan P. Bustamante, María E. Szretter, Mariela Sued, Marcelo A. Marti, Dario A. Estrin, Leonardo Boechi
A quantitative model for oxygen uptake and release in a family of hemeproteins. Bioinform. 32 (12) (2016)
Natali V. Di Russo, Dario A. Estrin, Marcelo A. Marti, Adrian E. Roitberg
s: The Case of Nitrophorin 4. PLoS Comput. Biol. 8 (11) (2012)
Carlos M. A. Guardia, Diego F. Gauto, Santiago Di Lella, Gabriel A. Rabinovich, Marcelo A. Marti, Dario A. Estrin
An Integrated Computational Analysis of the Structure, Dynamics, and Ligand Binding Interactions of the Human Galectin Network. J. Chem. Inf. Model. 51 (8) (2011)
Esteban Lanzarotti, Rolf R. Biekofsky, Dario A. Estrin, Marcelo A. Marti, Adrian Gustavo Turjanski
Aromatic-Aromatic Interactions in Proteins: Beyond the Dimer. J. Chem. Inf. Model. 51 (7) (2011)
Flavio Forti, Leonardo Boechi, Dario A. Estrin, Marcelo A. Marti
Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins. J. Comput. Chem. 32 (10) (2011)