Tools


Home > Publications


Publications

Results 21 - 30 of about 107

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Carrió P, Pinto M, Ecker G, Sanz F, Pastor M. Applicability Domain Analysis (ADAN): A Robust Method for Assessing the Reliability of Drug Property Predictions. J Chem Inf Model, 2014; 54 (5): 1500-1511. PMID: 24821140 . DOI: 10.1021/ci500172z.

2014

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Marti-Solano M, Birney E, Bril A, Della Pasqua O, Kitano H, Mons B, Xenarios I, Sanz F. Integrative knowledge management to enhance pharmaceutical R&D. Nat Rev Drug Discov, 2014;13(4): 239-40. PMID: 24687050 . DOI: 10.1038/nrd4290.

2014

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

Selent J, Marti-Solano M, Rodríguez J, Atanes P, Brea J, Castro M, Sanz F, Loza MI, Pastor M. Novel insights on the structural determinants of clozapine and olanzapine multi-target binding profiles. Eur J Med Chem, 2014; 77C: 91-95 . PMID: 24631727 . DOI: 10.1016/j.ejmech.2014.02.058 APR 2014.

2014

Original articles in indexed journals - PharmacoInformatics

Cotrina EY, Pinto M, Bosch L, Vila M, Blasi D, Quintana J, Centeno NB, Arsequell G, Planas A, Valencia G. Modulation of the Fibrillogenesis Inhibition Properties of Two Transthyretin Ligands by Halogenation. J Med Chem, 2013; 56; 22: 9110-9121. PMID: 24147937 . DOI: 10.1021/jm401061w.

2013

Other - PharmacoInformatics - GPCR Drug Discovery

de la Fuente-Gonzalez R A, Atanes-Juiz P, Moreno-Guillen E, McCormick PJ, Bruno A, Pastor M, Loza-Garcia MI, Selent J, Castro-Perez M. Characterization of a serotonin 5-HT2A receptor mutated at the cholesterol consensus motif. Basic Clin Pharmacol, 2013; 113: 42-42; 1 SI

2013

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

Kaczor AA, Selent J, Sanz F, Pastor M. Modeling Complexes of Transmembrane Proteins: Systematic Analysis of ProteinProtein Docking Tools. Mol Inf, 2013; 32 (8):717-733 DOI: 10.1002/minf.201200150.

2013

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

Martí-Solano M, Guixà-González R, Sanz F, Pastor M, Selent J. Novel Insights into Biased Agonism at G Protein-Coupled Receptors and their Potential for Drug Design. Curr Pharm Design, 2013; 19 (28): 5156-5166 . PMID: 23621547 .

2013

Original articles in indexed journals - Systems Pharmacology - PharmacoInformatics

Azzaoui K, Jacoby E, Senger S, Rodríguez EC, Loza M, Zdrazil B, Pinto M, Williams AJ, de la Torre V, Mestres J, Pastor M, Taboureau O, Rarey M, Chichester C, Petiffer S, Blomberg N, Harland L, Williams-Jones B, Ecker GF. Scientific competency questions as the basis for semantically enriched open pharmacological space development. Drug Discov Today, 2013; 18: 843-852 . PMID: 23702085 . DOI: 10.1016/j.drudis.2013.05.008 SEP 2013.

2013

Original articles in indexed journals - PharmacoInformatics - GPCR Drug Discovery

Selent J, Kaczor AA, Guixà-González R, Carrió P, Pastor M, Obiol-Pardo C. Rational design of the survivin/CDK4 complex by combining protein-protein docking and molecular dynamics simulations. J Mol Model, 2013; 19(4): 1507-1514 . PMID: 23263360 . DOI: 10.1007/s00894-012-1705-8.

2013

Original articles in indexed journals - PharmacoInformatics

Jabeen I, Wetwitayaklung P, Chiba P, Pastor M, Ecker GF. 2D- and 3D-QSAR studies of a series of benzopyranes and benzopyrano[3,4b][1,4]-oxazines as inhibitors of the multidrug transporter P-glycoprotein. J Comput Aid Mol Des, 2013; 27 (2): 161-171. PMID: 23400406 . DOI: 10.1007/s10822-013-9635.

2013



Site Information