| Exponential consensus ranking improves the outcome in docking and receptor ensemble docking K Palacio-Rodríguez, I Lans, CN Cavasotto, P Cossio Scientific reports 9 (1), 5142, 2019 | 89 | 2019 |
| Quantifying conformational changes in GPCRs: glimpse of a common functional mechanism JAR Dalton, I Lans, J Giraldo BMC bioinformatics 16, 1-15, 2015 | 40 | 2015 |
| Theoretical Study of the Mechanism of the Hydride Transfer between Ferredoxin–NADP+ Reductase and NADP+: The Role of Tyr303 I Lans, M Medina, E Rosta, G Hummer, M Garcia-Viloca, JM Lluch, ... Journal of the American Chemical Society 134 (50), 20544-20553, 2012 | 39 | 2012 |
| Mechanism of the Hydride Transfer between Anabaena Tyr303Ser FNRrd/FNRox and NADP+/H. A Combined Pre-Steady-State Kinetic/Ensemble-Averaged … I Lans, JR Peregrina, M Medina, M Garcia-Viloca, A Gonzalez-Lafont, ... The Journal of Physical Chemistry B 114 (9), 3368-3379, 2010 | 30 | 2010 |
| Structural insights into the synthesis of FMN in prokaryotic organisms B Herguedas, I Lans, M Sebastián, JA Hermoso, M Martínez-Júlvez, ... Acta Crystallographica Section D: Biological Crystallography 71 (12), 2526-2542, 2015 | 24 | 2015 |
| Dual role of FMN in flavodoxin function: Electron transfer cofactor and modulation of the protein–protein interaction surface S Frago, I Lans, JA Navarro, M Hervás, DE Edmondson, MA De la Rosa, ... Biochimica et Biophysica Acta (BBA)-Bioenergetics 1797 (2), 262-271, 2010 | 23 | 2010 |
| The transient catalytically competent coenzyme allocation into the active site of Anabaena ferredoxin NADP+-reductase JR Peregrina, I Lans, M Medina European Biophysics Journal 41, 117-128, 2012 | 20 | 2012 |
| Discovery of antimicrobial compounds targeting bacterial type FAD synthetases M Sebastián, E Anoz-Carbonell, B Gracia, P Cossio, JA Aínsa, I Lans, ... Journal of enzyme inhibition and medicinal chemistry 33 (1), 241-254, 2018 | 18 | 2018 |
| Shining light on an mGlu5 photoswitchable NAM: a theoretical perspective J AR Dalton, I Lans, X Rovira, F Malhaire, X Gómez-Santacana, S Pittolo, ... Current neuropharmacology 14 (5), 441-454, 2016 | 17 | 2016 |
| Helix 3 acts as a conformational hinge in Class A GPCR activation: An analysis of interhelical interaction energies in crystal structures I Lans, JAR Dalton, J Giraldo Journal of structural biology 192 (3), 545-553, 2015 | 17 | 2015 |
| The dimer-of-trimers assembly prevents catalysis at the transferase site of prokaryotic FAD synthase I Lans, J Seco, A Serrano, R Burbano, P Cossio, MC Daza, M Medina Biophysical Journal 115 (6), 988-995, 2018 | 11 | 2018 |
| Entropy drives the insertion of ibuprofen into model membranes N Rojas-Valencia, I Lans, M Manrique-Moreno, CZ Hadad, A Restrepo Physical Chemistry Chemical Physics 20 (38), 24869-24876, 2018 | 11 | 2018 |
| Selective protonation of acidic residues triggers opsin activation I Lans, JAR Dalton, J Giraldo The Journal of Physical Chemistry B 119 (30), 9510-9519, 2015 | 11 | 2015 |
| In silico discovery and biological validation of ligands of FAD synthase, a promising new antimicrobial target I Lans, E Anoz-Carbonell, K Palacio-Rodríguez, JA Aínsa, M Medina, ... PLoS computational biology 16 (8), e1007898, 2020 | 10 | 2020 |
| Understanding the FMN cofactor chemistry within the Anabaena Flavodoxin environment I Lans, S Frago, M Medina Biochimica et Biophysica Acta (BBA)-Bioenergetics 1817 (12), 2118-2127, 2012 | 10 | 2012 |
| Application of ensemble pharmacophore-based virtual screening to the discovery of novel antimitotic tubulin inhibitors L Gallego-Yerga, R Ochoa, I Lans, C Peña-Varas, M Alegría-Arcos, ... Computational and Structural Biotechnology Journal 19, 4360-4372, 2021 | 8 | 2021 |
| Flexi-pharma: a molecule-ranking strategy for virtual screening using pharmacophores from ligand-free conformational ensembles I Lans, K Palacio-Rodríguez, CN Cavasotto, P Cossio Journal of Computer-Aided Molecular Design 34, 1063-1077, 2020 | 8 | 2020 |
| Computational evaluation of interaction between curcumin derivatives and amyloid-β monomers and fibrils: Relevance to Alzheimer’s disease A Orjuela, J Lakey-Beitia, R Mojica-Flores, ML Hegde, I Lans, J Alí-Torres, ... Journal of Alzheimer's Disease 82 (s1), S321-S333, 2021 | 5 | 2021 |
| Exploring the activation mechanism of the mGlu5 transmembrane domain I Lans, Ó Díaz, JAR Dalton, J Giraldo Frontiers in Molecular Biosciences 7, 38, 2020 | 4 | 2020 |
| Spin densities in flavin analogs within a flavoprotein JI Martínez, S Frago, I Lans, PJ Alonso, I García-Rubio, M Medina Biophysical journal 110 (3), 561-571, 2016 | 3 | 2016 |
