Xabier Lopez
Universidad del País Vasco
H-index: 42
Europe-Spain
Top articles of Xabier Lopez
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Mixed stereochemistry macrocycle acts as a helix-stabilizing peptide N-cap | Fabian Hink Julen Aduriz-Arrizabalaga Xabier Lopez Hiroaki Suga David De Sancho | 2024/4/2 | |
Atomistic molecular simulations of Aβ‐Zn conformational ensembles | Proteins: Structure, Function, and Bioinformatics | Julen Aduriz‐Arrizabalaga Xabier Lopez David De Sancho | 2024/1 |
Aufbau principle and singlet‐triplet gap in spherical Hooke atoms | International Journal of Quantum Chemistry | Xabier Telleria‐Allika Jesus M Ugalde Eduard Matito Eloy Ramos‐Cordoba Mauricio Rodríguez‐Mayorga | 2023/2/5 |
rsc. li/pccp | Phys. Chem. Chem. Phys | Raimund Feifel Majdi Hochlaf Stephen Price Zhengkang Xu Jiatong Li | 2023 |
Rules governing metal coordination in Aβ–Zn (ii) complex models from quantum mechanical calculations | Physical Chemistry Chemical Physics | Julen Aduriz-Arrizabalaga Jose M Mercero David De Sancho Xabier Lopez | 2023 |
One‐and Two‐Electron Reductions in MiniSOG and their Implication in Catalysis | ChemPhysChem | Oksana Azpitarte Ane Zudaire Jon Uranga Xabier Lopez Luca Salassa | 2023/8/1 |
Influence of metal binding on the conformational landscape of neurofilament peptides | Physical Chemistry Chemical Physics | David Silva-Brea David de Sancho Xabier Lopez | 2023 |
Rules governing metal coordination in clusters from Aβ-Zn (II) complexes from quantum mechanical calculations | Julen Aduriz-Arrizabalaga José M Mercero David De Sancho Xabier López | 2023/5/9 | |
Few electron systems confined in Gaussian potential wells and connection to Hooke atoms | International Journal of Quantum Chemistry | Xabier Telleria‐Allika Jose M Mercero Jesus M Ugalde Xabier Lopez Jon M Matxain | 2023/3/5 |
Entropy-enthalpy interplay in aluminum bound neurofilaments | Biophysical Journal | David Silva-Brea David de Sancho Xabier Lopez | 2023/2/10 |
All-Purpose Measure of Electron Correlation for Multireference Diagnostics | Journal of Chemical Theory and Computation | Xiang Xu Luis Soriano-Agueda Xabier López Eloy Ramos-Cordoba Eduard Matito | 2023/12/29 |
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 … | Physical Chemistry Chemical Physics | Iker Ortiz de Luzuriaga Ángel Sánchez-González Wojciech Synoradzki Xabier Lopez Adrià Gil | 2022 |
Building machine learning assisted phase diagrams: Three chemically relevant examples | AIP Advances | Xabier Telleria-Allika Jose M Mercero Xabier Lopez Jon M Matxain | 2022/7/1 |
Study of the DNA binding mechanism and in vitro activity against cancer cells of iron (III) and aluminium (III) kojic acid derivative complexes | Dalton Transactions | Joanna I Lachowicz Anna Mateddu Pierpaolo Coni Claudia Caltagirone Sergio Murgia | 2022 |
Influence of the Nonprotein Amino Acid Mimosine in Peptide Conformational Propensities from Novel Amber Force Field Parameters | The Journal of Physical Chemistry B | Asier Urriolabeitia David De Sancho Xabier López | 2022/4/13 |
Flavin-mediated photoactivation of Pt (IV) anticancer complexes: computational insights on the catalytic mechanism | Physical Chemistry Chemical Physics | Stefano Scoditti Eslam Dabbish German E Pieslinger Elixabete Rezabal Xabier Lopez | 2022 |
Aufbau Principle and Singlet-Triplet Gap in Spherical Hooke Atoms | Authorea Preprints | Xabier Telleria Jesus Ugalde Xabier Lopez Eduard Matito Eloy Ramos-Cordoba | 2022/4/11 |
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 | Iker Ortiz de Luzuriaga Sawssen Elleuchi Khaled Jarraya Emilio Artacho Xabier López | 2022 |
Can aluminum, a non-redox metal, alter the thermodynamics of key biological redox processes? The DPPH-QH2 radical scavenging reaction as a test case | Free Radical Biology and Medicine | Jose Lanuza Verònica Postils Xabier Lopez | 2022/2/1 |
The Wigner localization of interacting electrons in a one-dimensional harmonic potential | The Journal of Chemical Physics | Xabier Telleria-Allika Miguel Escobar Azor Grégoire François Gian Luigi Bendazzoli Jon M Matxain | 2022/11/7 |
