Ismael Rodriguez-Espigares

8PUBLICATIONS
33CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designCondensed matter imagingData communicationsProteins and peptides
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Publications (8)

|Nov 18, 2024
GPCRdb in 2025: adding odorant receptors, data mapper, structure similarity search and models of physiological ligand complexes.

Luis P Taracena Herrera, Søren N Andreassen, Jimmy Caroli

|May 13, 2021
Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?

Jon Kapla, Ismael Rodríguez-Espigares, Flavio Ballante

|Jul 25, 2020
Publisher Correction: GPCRmd uncovers the dynamics of the 3D-GPCRome.

Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, Johanna K S Tiemann

|Jul 15, 2020
GPCRmd uncovers the dynamics of the 3D-GPCRome.

Ismael Rodríguez-Espigares, Mariona Torrens-Fontanals, Johanna K S Tiemann

|Mar 14, 2020
Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticity.

Mariama Jaiteh, Ismael Rodríguez-Espigares, Jana Selent

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