Original articles in indexed journals - GPCR Drug Discovery

Rodriguez-Espigares I, Kaczor AA, Selent J. In silico Exploration of the Conformational Universe of GPCRs. Mol Inf, 2016; 35 (6-7):227-237 . PMID: 27492237 . DOI: 10.1002/minf.201600012.

2016

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics - GPCR Drug Discovery

Guixà-González R, Javanainen M, Gómez-Soler M, Cordobilla B, Domingo JC, Sanz F, Pastor M, Ciruela F, Martinez-Seara H, Selent J. Membrane omega-3 fatty acids modulate the oligomerisation kinetics of adenosine A2A and dopamine D2 receptors. Sci Rep, 2016; 6: 19839 . PMID: 26796668 . DOI: 10.1038/srep19839.

2016

Original articles in indexed journals - GPCR Drug Discovery

Martí-Solano M, Schmidt D, Kolb P, Selent J. Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry. Drug Discov Today, 2016; 21 (4): 625-631 . PMID: 26821135 . DOI: 10.1016/j.drudis.2016.01.009.

2016

Original articles in indexed journals - GPCR Drug Discovery

Kaczor AA, Rutkowska E, Bartuzi D, Targowska-Duda KM, Matosiuk D, Selent J. Computational methods for studying G protein-coupled receptors (GPCRs). Method Cell Biol, 2016; 132: 359-399 . PMID: 26928552 . DOI: 10.1016/bs.mcb.2015.11.002.

2015

Original articles in indexed journals - GPCR Drug Discovery

Cournia Z, Allen TW, Andricioaei I, Antonny B, Baum D, Brannigan G, Buchete NV, Deckman JT, Delemotte L, del Val C, Friedman R, Gkeka P, Hege HC, Henin J, Kasimova MA, Kolocouris A, Klein ML, Khalid S, Lemieux MJ, Lindow N, Roy M, Selent J, Tarek M, Tofoleanu F, Vanni S, Urban S, Wales DJ, Smith JC, Bondar AN. Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory. J Membrane Biol, 2015; 248 (4):611-640 . PMID: 26063070 . DOI: 10.1007/s00232-015-9802-0.

2015

Original articles in indexed journals - PharmacoInformatics - GPCR Drug Discovery

Kaczor AA, Guixa-Gonzalez R, Carrio P, Poso A, Dove S, Pastor M, Selent J. Multi-Component Protein - Protein Docking Based Protocol with External Scoring for Modeling Dimers of G Protein-Coupled Receptors. Mol Inf, 2015; 34 (4): 246-255 DOI: 10.1002/minf.201400088.

2015

PhD Thesis - PharmacoInformatics - GPCR Drug Discovery

Martí Solano M. Ligand selectivity at GPCRS: from multi-target binding profiles to biased agonism. Universitat Pompeu Fabra. February 10th 2015. Thesis Directors: Selent J & Pastor M

2015

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics - Computational Science - GPCR Drug Discovery

Marti-Solano M, Iglesias A, de Fabritiis G, Sanz F, Brea J, Loza MI, Pastor M, Selent J. Detection of New Biased Agonists for the Serotonin 5-HT2A Receptor: Modeling and Experimental Validation. Mol Pharmacol, 2015; 87 (4): 740-746 . PMID: 25661038 . DOI: 10.1124/mol.114.097022.

2015

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics - GPCR Drug Discovery

Martí-Solano M, Sanz F, Pastor M, Selent J. A dynamic view of molecular switch behavior at serotonin receptors: implications for functional selectivity. PLoS One, 2014; 9(10): e109312 . PMID: 25313636 . DOI: 10.1371/journal.pone.0109312.

2014

Original articles in indexed journals - GPCR Drug Discovery

Magnani F, Pappas C, Crook T, Magafa V, Cordopatis P, Ishiguro S, Ohta N, Selent J, Bosnyak S, Jones ES, Gerothanassis I, Tamura M, Widdop ER, Tzakos AG. Sculpting GPCR peptide-ligand subtype selectivity: tackling cancer via a novel drug target. Journal of Peptide Science, 2014; 20 S40-S41

2014