Aitor Bergara

Fisika Aplikatua 1 Saila, Europa Plaza 1
San Sebastian, PV 20018, Spain

Last Updated: 09/26/2026

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Found 21 publications

Computational Analysis of ELOVL6 Structure and Inhibition for Rational Drug Design.

Computational Analysis of ELOVL6 Structure and Inhibition for Rational Drug Design.

Journal: Journal of chemical information and modeling

Published: June 05, 2026

Multivalent Interactions between Chaperone and Ribosome-Nascent Chain Complex Revealed by High-Speed AFM and MD Simulations.

Multivalent Interactions between Chaperone and Ribosome-Nascent Chain Complex Revealed by High-Speed AFM and MD Simulations.

Journal: ACS nano

Published: December 11, 2025

Machine Learning Approach for Predicting Drug-Like Molecules Targeting Calmodulin Pathway Proteins.

Machine Learning Approach for Predicting Drug-Like Molecules Targeting Calmodulin Pathway Proteins.

Journal: Journal of chemical information and modeling

Published: October 22, 2025

Li-F polarity-driven stabilization of -VII oxidation state of gold at high pressure.

Li-F polarity-driven stabilization of -VII oxidation state of gold at high pressure.

Journal: Nature communications

Published: August 22, 2025

MLe-KCNQ2: An Artificial Intelligence Model for the Prognosis of Missense KCNQ2 Gene Variants.

MLe-KCNQ2: An Artificial Intelligence Model for the Prognosis of Missense KCNQ2 Gene Variants.

Journal: International journal of molecular sciences

Published: January 31, 2024

Identification of Riluzole derivatives as novel calmodulin inhibitors with neuroprotective activity by a joint synthesis, biosensor, and computational guided strategy.

Identification of Riluzole derivatives as novel calmodulin inhibitors with neuroprotective activity by a joint synthesis, biosensor, and computational guided strategy.

Journal: Biomedicine & pharmacotherapy = Biomedecine & pharmacotherapie

Published: January 19, 2024

A Janus CrSSe monolayer with interesting ferromagnetism.

A Janus CrSSe monolayer with interesting ferromagnetism.

Journal: Physical chemistry chemical physics : PCCP

Published: October 26, 2023

Emergent superconductivity in TaO3 at high pressures.

Emergent superconductivity in TaO3 at high pressures.

Journal: Physical chemistry chemical physics : PCCP

Published: August 25, 2023

Molecular dynamics simulations of the calmodulin-induced α-helix in the SK2 calcium-gated potassium ion channel.

Molecular dynamics simulations of the calmodulin-induced α-helix in the SK2 calcium-gated potassium ion channel.

Journal: The Journal of biological chemistry

Published: June 17, 2022

Superconducting Li10Se electride under pressure.

Superconducting Li10Se electride under pressure.

Journal: The Journal of chemical physics

Published: May 21, 2022

Wide Band Gap P3S Monolayer with Anisotropic and Ultrahigh Carrier Mobility.

Wide Band Gap P3S Monolayer with Anisotropic and Ultrahigh Carrier Mobility.

Journal: The journal of physical chemistry letters

Published: August 27, 2021

Anisotropic and High-Mobility C3S Monolayer as a Photocatalyst for Water Splitting.

Anisotropic and High-Mobility C3S Monolayer as a Photocatalyst for Water Splitting.

Journal: The journal of physical chemistry letters

Published: August 24, 2021

Showing 1-12 of 21

Last Updated: 09/26/2026