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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 - 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

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

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 Biophysics - 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

Cases M, Briggs K, Steger-Hartmann T, Pognan F, Marc P, Kleinöder T, Schwab CH, Pastor M, Wichard J, Sanz F. The eTOX Data-Sharing Project to Advance in Silico Drug-Induced Toxicity Prediction. Int J Mol Sci, 2014; 15(11): 21136-21154. PMID: 25405742 . DOI: 10.3390/ijms151121136.

2014

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



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