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Results 31 - 40 of about 113

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

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Cases M, Pastor M, Sanz F. The eTOX Library of Public Resources for in Silico Toxicity Prediction. Mol Inf, 2013; 32: 24–35. DOI: 10.1002/minf.201200099.

2013

Reviews in indexed journals - PharmacoInformatics - Computational Biophysics - GPCR Drug Discovery

Sadiq SK, Guixà-González R, Dainese E, Pastor M, De Fabritiis G, Selent J. Molecular Modeling and Simulation of Membrane Lipid-Mediated Effects on GPCRs. Curr Med Chem, 2013. 20(1):22-38. . PMID: 23151000 .

2013

Original articles in indexed journals - PharmacoInformatics - GPCR Drug Discovery

Kaczor AA, Guixà-González R, Carrió P, Obiol-Pardo C, Pastor M, Selent J. Fractal dimension as a measure of surface roughness of G protein-coupled receptors: implications for structure and function. J Mol Model, 2012; 18 (9):4465-4475 . PMID: 22643967 . DOI: 10.1007/s00894-012-1431-2.

2012

Other - Integrative Biomedical Informatics - PharmacoInformatics

Massaguer OL, Sanz F, Pastor M. Use of advanced knowledge management tools for maintaining an updated repository of toxicologically relevant information (Poster). International Symposium on Medicinal Chemistry, Berlin, Germany. 2-6 September 2012

2012



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