Quantifying conformational changes in GPCRs: glimpse of a common functional mechanism

por Dalton, James AR, Lans, Isaias, Giraldo, Jesús
Publicado 2015

Exponential consensus ranking improves the outcome in docking and receptor ensemble docking

por Palacio-Rodríguez, Karen, Lans, Isaias, Cavasotto, Claudio N., Cossio, Pilar
Publicado 2019

Exploring the Activation Mechanism of the mGlu5 Transmembrane Domain

por Lans, Isaias, Díaz, Óscar, Dalton, James A. R., Giraldo, Jesús
Publicado 2020

Flexi-pharma: a molecule-ranking strategy for virtual screening using pharmacophores from ligand-free conformational ensembles

por Lans, Isaias, Palacio-Rodríguez, Karen, Cavasotto, Claudio N., Cossio, Pilar
Publicado 2020

In silico discovery and biological validation of ligands of FAD synthase, a promising new antimicrobial target

por Lans, Isaias, Anoz-Carbonell, Ernesto, Palacio-Rodríguez, Karen, Aínsa, José Antonio, Medina, Milagros, Cossio, Pilar
Publicado 2020

Discovery of antimicrobial compounds targeting bacterial type FAD synthetases

por Sebastián, María, Anoz-Carbonell, Ernesto, Gracia, Begoña, Cossio, Pilar, Aínsa, José Antonio, Lans, Isaías, Medina, Milagros
Publicado 2017

Application of ensemble pharmacophore-based virtual screening to the discovery of novel antimitotic tubulin inhibitors

por Gallego-Yerga, Laura, Ochoa, Rodrigo, Lans, Isaías, Peña-Varas, Carlos, Alegría-Arcos, Melissa, Cossio, Pilar, Ramírez, David, Peláez, Rafael
Publicado 2021

Shining Light on an mGlu5 Photoswitchable NAM: A Theoretical Perspective

por Dalton, James A.R., Lans, Isaias, Rovira, Xavier, Malhaire, Fanny, Gómez-Santacana, Xavier, Pittolo, Silvia, Gorostiza, Pau, Llebaria, Amadeu, Goudet, Cyril, Pin, Jean-Philippe, Giraldo, Jesús
Publicado 2016