Iñaki Tuñón
Orcid: 0000-0002-6995-1838
According to our database1,
Iñaki Tuñón
authored at least 9 papers
between 1994 and 2023.
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Bibliography
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
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