Jaime Martinez-Rubio

Barcelona, CT 08028, Spain

Last Updated: 09/26/2026

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Found 39 publications

Boosting Drug Discovery: Expanding the Applicability of Fragment Dissolved Molecular Dynamics to Accelerate Binding Mode Elucidation.

Boosting Drug Discovery: Expanding the Applicability of Fragment Dissolved Molecular Dynamics to Accelerate Binding Mode Elucidation.

Journal: Journal of chemical information and modeling

Published: November 24, 2025

Ion mobility-mass spectrometry of palytoxin-like compounds produced by Ostreopsis cf. ovata.

Ion mobility-mass spectrometry of palytoxin-like compounds produced by Ostreopsis cf. ovata.

Journal: Analytical and bioanalytical chemistry

Published: July 22, 2025

Oleuropein Aglycone, an Olive Polyphenol, Influences Alpha-Synuclein Aggregation and Exerts Neuroprotective Effects in Different Parkinson's Disease Models.

Oleuropein Aglycone, an Olive Polyphenol, Influences Alpha-Synuclein Aggregation and Exerts Neuroprotective Effects in Different Parkinson's Disease Models.

Journal: Molecular neurobiology

Published: January 09, 2025

The multimerization pathway of the glucocorticoid receptor.

The multimerization pathway of the glucocorticoid receptor.

Journal: Nucleic acids research

Published: December 10, 2024

Induction of the Inflammasome by the SARS-CoV-2 Accessory Protein ORF9b, Abrogated by Small-Molecule ORF9b Homodimerization Inhibitors.

Induction of the Inflammasome by the SARS-CoV-2 Accessory Protein ORF9b, Abrogated by Small-Molecule ORF9b Homodimerization Inhibitors.

Journal: Journal of medical virology

Published: June 11, 2024

Shedding Light on Dark Chemical Matter: The Discovery of a SARS-CoV-2 Mpro Main Protease Inhibitor through Intensive Virtual Screening and In Vitro Evaluation.

Shedding Light on Dark Chemical Matter: The Discovery of a SARS-CoV-2 Mpro Main Protease Inhibitor through Intensive Virtual Screening and In Vitro Evaluation.

Journal: International journal of molecular sciences

Published: May 01, 2024

The Discovery of inhibitors of the SARS-CoV-2 S protein through computational drug repurposing.

The Discovery of inhibitors of the SARS-CoV-2 S protein through computational drug repurposing.

Journal: Computers in biology and medicine

Published: October 30, 2023

Discovery of Hit Compounds Targeting the P4 Allosteric Site of K-RAS, Identified through Ensemble-Based Virtual Screening.

Discovery of Hit Compounds Targeting the P4 Allosteric Site of K-RAS, Identified through Ensemble-Based Virtual Screening.

Journal: Journal of chemical information and modeling

Published: October 12, 2023

Assessment of the bound conformation of bombesin to the BB1 and BB2 receptors.

Assessment of the bound conformation of bombesin to the BB1 and BB2 receptors.

Journal: International journal of biological macromolecules

Published: August 11, 2023

A Step Forward toward Selective Activation/Inhibition of Bak, a Pro-Apoptotic Member of the Bcl-2 Protein Family: Discovery of New Prospective Allosteric Sites Using Molecular Dynamics.

A Step Forward toward Selective Activation/Inhibition of Bak, a Pro-Apoptotic Member of the Bcl-2 Protein Family: Discovery of New Prospective Allosteric Sites Using Molecular Dynamics.

Journal: Journal of chemical information and modeling

Published: May 25, 2023

A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.

A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.

Journal: Science advances

Published: March 15, 2023

Autochthonous Peruvian Natural Plants as Potential SARS-CoV-2 Mpro Main Protease Inhibitors.

Autochthonous Peruvian Natural Plants as Potential SARS-CoV-2 Mpro Main Protease Inhibitors.

Journal: Pharmaceuticals (Basel, Switzerland)

Published: March 02, 2023

Showing 1-12 of 39

Last Updated: 09/26/2026