Xabier Lopez (Xabier López, X Lopez)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 14

Top Topics

Molecular Dynamics

Preterm Infants

Top Venues

Physical chemistry chemical physics : PCCP

Journal of chemical theory and computation

Angewandte Chemie (International ed. in English)

The journal of physical chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

Xiang Xu, Luis Soriano-Agueda, Xabier Lopez, Eloy Ramos-Cordoba, Eduard Matito
All-Purpose Measure of Electron Correlation for Multireference Diagnostics. Journal of chemical theory and computation 20 (2) (2023)
David Silva-Brea, David de Sancho, Xabier Lopez
Influence of metal binding on the conformational landscape of neurofilament peptides. Physical chemistry chemical physics : PCCP (2023)
Xiang Xu, Luis Soriano-Agueda, Xabier Lopez, Eloy Ramos-Cordoba, Eduard Matito
All-Purpose Measure of Electron Correlation for Multireference Diagnostics. Journal of chemical theory and computation 20 (2) (2023)
Julen Aduriz-Arrizabalaga, José M Mercero, David de Sancho, Xabier Lopez
Rules governing metal coordination in Aβ-Zn(II) complex models from quantum mechanical calculations. Physical chemistry chemical physics : PCCP (2023)
Xiang Xu, Luis Soriano-Agueda, Xabier Lopez, Eloy Ramos-Cordoba, Eduard Matito
All-Purpose Measure of Electron Correlation for Multireference Diagnostics. Journal of chemical theory and computation 20 (2) (2023)
Xiang Xu, Luis Soriano-Agueda, Xabier Lopez, Eloy Ramos-Cordoba, Eduard Matito
All-Purpose Measure of Electron Correlation for Multireference Diagnostics. Journal of chemical theory and computation (2023)
Iker Ortiz de Luzuriaga, Ángel Sánchez-González, Wojciech Synoradzki, Xabier Lopez, Adrià Gil
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. Physical chemistry chemical physics : PCCP 24 (42) (2022)
Stefano Scoditti, Eslam Dabbish, German E Pieslinger, Elixabete Rezabal, Xabier Lopez, Emilia Sicilia, Luca Salassa
Flavin-mediated photoactivation of Pt(IV) anticancer complexes: computational insights on the catalytic mechanism. Physical chemistry chemical physics : PCCP 24 (9) (2022)
Asier Urriolabeitia, David de Sancho, Xabier Lopez
Influence of the Nonprotein Amino Acid Mimosine in Peptide Conformational Propensities from Novel Amber Force Field Parameters. The journal of physical chemistry. B 126 (16) (2022)
Naroa Almenara, María A Garralda, Xabier Lopez, Jon M Matxain, Zoraida Freixa, Miguel A Huertos
Hydrogen Tunneling in Catalytic Hydrolysis and Alcoholysis of Silanes. Angewandte Chemie (International ed. in English) 61 (36) (2022)
Iker Ortiz de Luzuriaga, Sawssen Elleuchi, Khaled Jarraya, Emilio Artacho, Xabier Lopez, Adrià Gil
Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules. Physical chemistry chemical physics : PCCP 24 (19) (2022)
Ion Mitxelena, Xabier Lopez, David de Sancho
Markov state models from hierarchical density-based assignment. The Journal of chemical physics 155 (5) (2021)
Jon I Mujika, Gabriele Dalla Torre, Joanna Izabela Lachowicz, Xabier Lopez
In silico design of mimosine containing peptides as new efficient chelators of aluminum. RSC advances 9 (14) (2019)
Mauricio Antonio Rodríguez Mayorga, Eloy Ramos-Cordoba, Xabier Lopez, Miquel Solá, Jesus M Ugalde, Eduard Matito
The Coulomb Hole of the Ne Atom. ChemistryOpen 8 (4) (2019)