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Plos Computational Biology|August 16, 2020
In silico discovery and biological validation of ligands of FAD synthase, a promising new antimicrobial targetIsaias Lans, Ernesto Anoz-Carbonell, Karen Palacio-Rodríguez, et al.Proceedings of the National Academy of Sciences of the United States of America|June 4, 2025
Amortized template matching of molecular conformations from cryoelectron microscopy images using simulation-based inferenceLars Dingeldein, David Silva-Sánchez, Luke Evans, et al.Biophysical Journal|September 5, 2018
The Dimer-of-Trimers Assembly Prevents Catalysis at the Transferase Site of Prokaryotic FAD SynthaseIsaias Lans, Juan Seco, Ana Serrano, et al.Drug Discovery Today|January 23, 2026
Peptide cheminformatics tools: making computational tasks accessible in peptide drug discoveryVanessa Erckes, Massina Abderrahmane, Maud Jusot, et al.Journal of Molecular Graphics & Modelling|June 29, 2019
Virtual and experimental screening of phenylfuranchalcones as potential anti-Leishmania candidatesRodrigo Ochoa, Elisa García, Sara M Robledo, et al.Journal of Chemical Theory and Computation|May 11, 2026
Cryo-Electron Microscopy Structural Ensemble Optimization Using Individual ParticlesDavid Silva-Sánchez, Alison M Berezuk, Xing Zhu, et al.Journal of Enzyme Inhibition and Medicinal Chemistry|December 21, 2017
Discovery of antimicrobial compounds targeting bacterial type FAD synthetasesMaría Sebastián, Ernesto Anoz-Carbonell, Begoña Gracia, et al.Chimia|July 2, 2014
The color of complexes and UV-vis spectroscopy as an analytical tool of Alfred Werner's group at the University of ZurichThomas Fox, Heinz BerkeBiomedica : Revista Del Instituto Nacional De Salud|December 13, 2022
NTD Health: an electronic medical record system for neglected tropical diseasesRodrigo Ochoa, Alessa Álvarez, Jordan Freitas, et al.Journal of Molecular Graphics & Modelling|September 23, 2021
dockECR: Open consensus docking and ranking protocol for virtual screening of small moleculesRodrigo Ochoa, Karen Palacio-Rodriguez, Camila M Clemente, et al.Pageof 20