Isaias Lans
Isaias Lans
Quipux. Biophysics of Tropical Diseases, Max Planck Tandem Group-University of Antioquia
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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
Quantifying conformational changes in GPCRs: glimpse of a common functional mechanism
JAR Dalton, I Lans, J Giraldo
BMC bioinformatics 16, 1-15, 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Exploring the activation mechanism of the mGlu5 transmembrane domain
I Lans, Ó Díaz, JAR Dalton, J Giraldo
Frontiers in Molecular Biosciences 7, 38, 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
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