Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Carbonell P, Lopez O, Amberg A, Pastor M, Sanz F. Hepatotoxicity prediction by systems biology modeling of disturbed metabolic pathways using gene expression data. ALTEX, 2016; 34 (2): 219-234 . PMID: 27690270 . DOI: 10.14573/altex.1602071.

2016

Original articles in indexed journals - PharmacoInformatics

Pegueroles C, Ferrés-Coy A, Martí-Solano M, Aquadro CF, Pascual M, Mestres F. Inversions and adaptation to the plant toxin ouabain shape DNA sequence variation within and between chromosomal inversions of Drosophila subobscura. Sci Rep, 2016; 6: 23754. . PMID: 27029337 . DOI: 10.1038/srep23754.

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 - Integrative Biomedical Informatics - PharmacoInformatics

Carrio P, Sanz F, Pastor M. Towards a unifying strategy for the structure-based prediction of toxicological endpoints. Arch Toxicol, 2015 . PMID: 26553148 . DOI: 10.1007/s00204-015-1618-2.

2015

Original articles in indexed journals - PharmacoInformatics

Capoferri L, Verkade-Vreeker MCA, Buitenhuis D, Commandeur JNM, Pastor M, Vermeulen NPE, Geerke DP. Linear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities with Reliability Estimation. PLoS One, 2015; 10 (11): e0142232 . PMID: 26551865 . DOI: 10.1371/journal.pone.0142232.

2015

Original articles in indexed journals - PharmacoInformatics

Escher, S; Hoffmann-Dorr, S; Pastor, M; Partosch, F; Schroder, K; Mangelsdorf, I. Update of time extrapolation factors for risk assessment: The benefit of combined databases and probabilistic analyses. Toxicol Lett, 2015; 238 (2): S100-S100 S DOI: 10.1016/j.toxlet.2015.08.332 OCT 16 2015.

2015

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Sanz F, Carrio P, Lopez O, Capoferri L, Kooi DP, Vermeulen NPE, Geerke DP, Montanari F, Ecker GF, Schwab CH, Kleinoder T, Magdziarz T, Pastor M. Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project. Mol Inform, 2015; 34 (6-7):477-484; SI DOI: 10.1002/minf.201400193.

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

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Carrio P, Lopez O, Sanz F, Pastor M. eTOXlab, an open source modeling framework for implementing predictive models in production environments. Journal of Cheminformatics, 2015; 7:8. PMID: 25774224 . DOI: 10.1186/s13321-015-0058-6.

2015

Original articles in indexed journals - PharmacoInformatics

Hewitt M, Ellison CM, Cronin MT, Pastor M, Steger-Hartmann T, Munoz-Muriendas J, Pognan F, Madden JC. Ensuring Confidence in Predictions: A Scheme to Assess the Scientific Validity of In Silico Models. Adv Drug Deliver Rev, 2015; 86: 101-111 . PMID: 25794480 . DOI: 10.1016/j.addr.2015.03.005.

2015