Alejandro Cruz

7PUBLICATIONS

20CO-AUTHORS

Cheminformatics and quantitative structure-activity relationshipsBiologically active moleculesProteins and peptidesStructural biology (incl. macromolecular modelling)Free radical chemistry

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Publications (7)

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|May 13, 2026

Computational Insights into the Activation Mechanism of CXCR4: Implications for the Design of Small Molecule Agonists.

|Apr 28, 2026

Photoswitchable COX-2-Selective Inhibitors as Light-Regulated Anti-Inflammatory Agents.

|Sep 10, 2025

Exploring allosteric properties of mammalian ALOX15: octyl (N-(4-(benzofuran-2-yl)-2-methoxyphenyl)sulfamoyl)- and octyl (N-(4-(1H-indol-2-yl)-2-methoxyphenyl)sulfamoyl)carbamates as ALOX inhibitors.

Viktor Gavrilyuk, Alejandro Cruz, Vladislav Aksenov

|Aug 04, 2025

Efficient Characterization of GPCRs Allosteric Modulation: Application to the Rational Design of De Novo S1PR1 Allosteric Modulators.

Alejandro Cruz, Arieh Warshel

|Nov 25, 2024

Unraveling GPCRs Allosteric Modulation. Cannabinoid 1 Receptor as a Case Study.

Alejandro Cruz, Arieh Warshel

|Jun 08, 2021

Accounting for the instantaneous disorder in the enzyme-substrate Michaelis complex to calculate the Gibbs free energy barrier of an enzyme reaction.

Sonia Romero-Téllez, Alejandro Cruz, Laura Masgrau

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Frequent Collaborators

4 joint publications

José M Lluch

4 joint publications

Àngels González-Lafont

Arieh Warshel

Igor Ivanov

Hartmut Kuhn

Eleonora Nicolai

Laura Masgrau

Viktor Gavrilyuk

Vladislav Aksenov

Alexander Zhuravlev

Frequent Collaborators

4 joint publications

José M Lluch

4 joint publications

Àngels González-Lafont

3 joint publications

Arieh Warshel

2 joint publications

Igor Ivanov