Iñaki Tuñón

Orcid: 0000-0002-6995-1838

According to our database1, Iñaki Tuñón authored at least 10 papers between 1994 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

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Bibliography

2024
Understanding the Interactions of Ubiquitin-Specific Protease 7 with Its Substrates through Molecular Dynamics Simulations: Insights into the Role of Its C-Terminal Domains in Substrate Recognition.
J. Chem. Inf. Model., 2024

2023
Elucidation of the Active Form and Reaction Mechanism in Human Asparaginase Type III Using Multiscale Simulations.
J. Chem. Inf. Model., September, 2023

2022
Spatial and Temporal Resolution of the Oxygen-Independent Photoinduced DNA Interstrand Cross-Linking by a Nitroimidazole Derivative.
J. Chem. Inf. Model., 2022

2021
Targeting the JAK/STAT Pathway: A Combined Ligand- and Target-Based Approach.
J. Chem. Inf. Model., 2021

2014
Exploring chemical reactivity of complex systems with path-based coordinates: Role of the distance metric.
J. Comput. Chem., 2014

2012
Computational study on hydrolysis of cefotaxime in gas phase and in aqueous solution.
J. Comput. Chem., 2012

1999
Modeling -lactam interactions in aqueous solution through combined quantum mechanics-molecular mechanics methods.
J. Comput. Chem., 1999

1996
Computation of hydration free energies using a parameterized continuum model: Study of equilibrium geometries and reactive processes in water solution.
J. Comput. Chem., 1996

A coupled density functional-molecular mechanics Monte Carlo simulation method: The water molecule in liquid water.
J. Comput. Chem., 1996

1994
GEPOL: An Improved Description of Molecular Surfaces. III. A New Algorithm for the Computation of a Silvent- Excluding Surface.
J. Comput. Chem., 1994


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