Adrià Gil

12PUBLICATIONS
14CO-AUTHORS
Metal organic frameworksCheminformatics and quantitative structure-activity relationshipsBiologically active moleculesBiomolecular modelling and designPolymerisation mechanisms
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Publications (12)

|May 07, 2024
The role of intermolecular interactions in [Fe(X-salEen)2]ClO4 spin crossover complexes.

Marcos A Bento, Tiago Gomes, Frederico F Martins

|Oct 19, 2022
Unravelling the binding affinity and selectivity of molybdenum(II) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands.

Iker Ortiz de Luzuriaga, Ángel Sánchez-González, Wojciech Synoradzki

|Apr 15, 2022
Elucidating the intercalation of methylated 1,10-phenanthroline with DNA: the important weight of the CH/H interactions and the selectivity of CH/π and CH/n interactions.

Ángel Sánchez-González, Adrià Gil

|Apr 01, 2022
Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules.

Iker Ortiz de Luzuriaga, Sawssen Elleuchi, Khaled Jarraya

|Mar 17, 2022
Influence of conventional hydrogen bonds in the intercalation of phenanthroline derivatives with DNA: The important role of the sugar and phosphate backbone.

Ángel Sánchez-González, Pierre Grenut, Adrià Gil

|Nov 26, 2021
From groove binding to intercalation: unravelling the weak interactions and other factors modulating the modes of interaction between methylated phenanthroline-based drugs and duplex DNA.

Ángel Sánchez-González, Tarsila G Castro, Manuel Melle-Franco

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Frequent Collaborators

3 joint publications

Angel Sanchez-Gonzalez

2 joint publications

Maria José Calhorda

2 joint publications

Xabier López

1 joint publications

Enrique M Cabaleiro-Lago