Results 41 - 50 of about 140
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
PhD Thesis - PharmacoInformatics
Carrió P. Development of advanced strategies for the prediction of toxicity endpoints in drug development. University Pompeu Fabra. Thesis Director: Pastor, M. December 11, 2015.
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
PhD Thesis - PharmacoInformatics - GPCR Drug Discovery
Martà 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