Julio Caballero

34PUBLICATIONS
41CO-AUTHORS
Nonlinear optics and spectroscopyBiomolecular modelling and designStatistical mechanics in chemistryProteomics and intermolecular interactions (excl. medical proteomics)Theory and design of materials
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Publications (34)

|Oct 23, 2025
Unraveling Lewis base substitution in ansa-type frustrated Lewis pairs: how N → P replacement redefines adduct stability and H2 activation.

César Barrales-Martínez, Javier Rosales-Rojas, Julio Caballero

|Jun 23, 2025
CorrEA: A Web Server for Optimizing Correlations between Calculated Energies and Activities in Ligand-Receptor Systems Considering Multiple Binding Site Conformations.

Sergio Alfaro, Fabián González-Norambuena, José Luis Velázquez-Libera

|May 07, 2025
Multiobjective Evolutionary Strategy for Improving Semiempirical Hamiltonians in the Study of Enzymatic Reactions at the QM/MM Level of Theory.

José Luís Velázquez-Libera, Rodrigo Recabarren, Esteban Vöhringer-Martinez

|Apr 29, 2025
The connection between hydride affinity and local electrophilicity: a key factor in designing frustrated Lewis pairs for reversible H2 activation.

César Barrales-Martínez, Rocío Durán, Julio Caballero

|May 04, 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.

José Luis Velázquez-Libera, Julio Caballero, Jans Alzate-Morales

|Apr 02, 2024
Exploring the electronic and steric effects on the dimerization of intramolecular frustrated Lewis pairs: a comparison between aminoboranes and aminoalanes.

César Barrales-Martínez, Claudio Illanes-Solis, Rocío Durán

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Frequent Collaborators

6 joint publications

José Luis Velázquez-Libera

5 joint publications

Roy González-Alemán

3 joint publications

Rocío Durán

3 joint publications

Daniel Platero-Rochart