Natalia Díaz

11PUBLICATIONS
16CO-AUTHORS
Theoretical quantum chemistryBiomolecular modelling and designProteins and peptidesStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterStatistical mechanics in chemistry
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Publications (11)

|Feb 02, 2026
Assessment of Energy Effects Determining cis-trans Proline Isomerization in Dipeptides.

Natalia Díaz, Roberto López, Ángel Martín-Pendás

|Apr 14, 2025
Refinement and Truncation of DNA Aptamers Based on Molecular Dynamics Simulations: Computational Protocol and Experimental Validation.

Ana Díaz-Fernández, Carmen S Ciudad, Natalia Díaz

|Jan 01, 2025
Assessing the Interactions between Snake Venom Metalloproteinases and Hydroxamate Inhibitors Using Kinetic and ITC Assays, Molecular Dynamics Simulations and MM/PBSA-Based Scoring Functions.

Raoni A de Souza, Natalia Díaz, Luis G Fuentes

|Mar 30, 2023
Atoms in molecules in real space: a fertile field for chemical bonding.

Ángel Martín Pendás, Evelio Francisco, Dimas Suárez

|Nov 25, 2022
Toward Reliable and Insightful Entropy Calculations on Flexible Molecules.

Natalia Díaz, Dimas Suárez

|Feb 25, 2022
QM/MM Energy Decomposition Using the Interacting Quantum Atoms Approach.

Roberto López, Natalia Díaz, Evelio Francisco

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Frequent Collaborators

11 joint publications

Dimas Suárez

4 joint publications

Ángel Martín-Pendás

3 joint publications

Evelio Francisco

2 joint publications

Ana Díaz-Fernández