Dario A. Estrin

According to our database, Dario A. Estrin authored at least 10 papers between 2011 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

Assessment of Embedding Schemes in a Hybrid Machine Learning/Classical Potentials (ML/MM) Approach.

Juan S. Grassano, Ignacio Pickering, Adrian E. Roitberg, Mariano C. González Lebrero, Dario A. Estrin, Jonathan Alexis Semelak

J. Chem. Inf. Model., 2024

2023

Novel Lennard-Jones Parameters for Cysteine and Selenocysteine in the AMBER Force Field.

Federico N. Pedron, Andresa Messias, Ari Zeida, Adrian E. Roitberg, Dario A. Estrin

J. Chem. Inf. Model., January, 2023

2020

Multiscale Modeling of Thiol Overoxidation in Peroxiredoxins by Hydrogen Peroxide.

Jonathan Alexis Semelak, Federica Battistini, Rafael Radi, Madia Trujillo, Ari Zeida, Dario A. Estrin

J. Chem. Inf. Model., 2020

2019

Thermal Stability of Globins: Implications of Flexibility and Heme Coordination Studied by Molecular Dynamics Simulations.

Laia Julió Plana, Alejandro D. Nadra, Dario A. Estrin, F. Javier Luque, Luciana Capece

J. Chem. Inf. Model., 2019

2016

Evolutionary and Functional Relationships in the Truncated Hemoglobin Family.

Juan P. Bustamante, Leandro G. Radusky, Leonardo Boechi, Dario A. Estrin, Arjen ten Have, Marcelo A. Marti

PLoS Comput. Biol., 2016

A quantitative model for oxygen uptake and release in a family of hemeproteins.

Juan P. Bustamante, María E. Szretter, Mariela Sued, Marcelo A. Marti, Dario A. Estrin, Leonardo Boechi

Bioinform., 2016

2012

pH-Dependent Conformational Changes in Proteins and Their Effect on Experimental pK_as: The Case of Nitrophorin 4.

Natali V. Di Russo, Dario A. Estrin, Marcelo A. Marti, Adrian E. Roitberg

PLoS Comput. Biol., 2012

2011

Aromatic-Aromatic Interactions in Proteins: Beyond the Dimer.

Esteban Lanzarotti, Rolf R. Biekofsky, Dario A. Estrin, Marcelo A. Marti, Adrian Gustavo Turjanski

J. Chem. Inf. Model., 2011

An Integrated Computational Analysis of the Structure, Dynamics, and Ligand Binding Interactions of the Human Galectin Network.

Carlos M. A. Guardia, Diego F. Gauto, Santiago Di Lella, Gabriel A. Rabinovich, Marcelo A. Marti, Dario A. Estrin

J. Chem. Inf. Model., 2011

Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins.

Flavio Forti, Leonardo Boechi, Dario A. Estrin, Marcelo A. Marti

J. Comput. Chem., 2011