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

Selent J, Sanz F, Pastor M, de Fabritiis G. Induced effects of sodium ions on dopaminergic G-protein coupled receptors. PLoS Comput Biol 2010; 6(8): e1000884. . PMID: 20711351 . DOI: 10.1371/journal.pcbi.1000884.

2010

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

Selent J, Bauer-Mehren A, Lopez L, Loza MI, Sanz F, Pastor M. A Novel Multilevel Statistical Method for the Study of the Relationships between Multireceptorial Binding Affinity Profiles and In Vivo Endpoints. Molecular Pharmacology, 2010; 77 (2): 149-158 . PMID: 19903829 . DOI: 10.1124.

2010

PhD Thesis - PharmacoInformatics

Lopez L. Construcción y anàlisis de modelos estructurales de receptores de membrana implicados en el tratamiento de la psicosis. Universitat Pompeu Fabra. Director: Pastor M. 2010

2010

PhD Thesis - PharmacoInformatics

Durán A. Desarrollo y validación de una nueva generación de descriptores moleculares independientes del alineamiento. Universitat Pompeu Fabra. Director: Pastor M. 2010

2010

Original articles in indexed journals - PharmacoInformatics

Duran A, Zamora I, Pastor M. Suitability of GRIND-Based Principal Properties for the Description of Molecular Similarity and Ligand-Based Virtual Screening. J Chem Inf Model 2009;49(9): 2129-2138. PMID: 19728739 . DOI: 10.1021.

2009

Original articles in indexed journals - PharmacoInformatics

Bergmann R, Liljefors T, Sorensen MD, Zamora I. SHOP: Receptor-Based Scaffold HOPping by GRID-Based Similarity Searches. J Chem Inf Model 2009; 49(3): 658-669. PMID: 19265417 . DOI: 10.1021.

2009

Original articles in indexed journals - PharmacoInformatics

Fontaine F, Cross S, Plasencia G, Pastor M, Zamora I. SHOP: A Method for Structure-Based Fragment and Scaffold Hopping. Chem Med Chem. 2009; 4(3): 427-39. PMID: 19152365 . DOI: 10.1002.

2009

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

Ortega R, Raviña E, Masaguer CF, Areias F, Brea J, Loza MI, López L, Selent J, Pastor M, Sanz F. Synthesis, binding affinity and SAR of new benzolactam derivatives as dopamine D3 receptor ligands. Bioorg Med Chem Lett 2009; 19: 1773–8 . PMID: 19217777 . DOI: 10.1016.

2009

Original articles in indexed journals - PharmacoInformatics

Mairal T, Nieto J, Pinto M, Almeida MR, Gales L, Ballesteros A, Barluenga J, Pérez JJ, Vázquez JT, Centeno NB, Saraiva MJ, Damas AM, Planas A, Arsequell G, Valencia G. Iodine Atoms: A New Molecular Feature for the Design of Potent Transthyretin Fibrillogenesis Inhibitors. PLoS ONE, 2009; 4:e4124.. PMID: 19125186 . DOI: 10.1371.

2009

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

Aranda R, Villalba K, Raviña E, Masaguer CF, Brea J, Areias F, Dominguez E, Selent J,  Lopez L, Sanz F, Pastor M, Loza MI. Synthesis, binding affinity, and molecular docking analysis of new benzofuranone derivatives as potential Antipsychotics. J Med Chem 2008; 51: 6085–94 . PMID: 18783204 . DOI: 10.1021.

2008



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