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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

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 - 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

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 - 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

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

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

Selent J, López L, Sanz F, Pastor M. Multi-Receptor Binding Profile of Clozapine and Olanzapine: A Structural Study Based on the New b2 Adrenergic Receptor Template. ChemMedChem. 2008; 3:1194-98 . PMID: 18465762 . DOI: 10.1002.

2008

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Stefanachi A, Brea JM, Cadavid MI, Centeno NB, Esteve C, Loza MI, Martinez A, Nieto R, Raviña E, Sanz F, Segarra V, Sotelo E, Vidal B, Carotti A. 1-, 3- and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A2B adenosine receptor. Bioorg Med Chem. 2008; 16(6): 2852-69.. PMID: 18226909 . DOI: 10.1016.

2008

Original articles in indexed journals - PharmacoInformatics

Durán A, Comesaña G, Pastor M. Development and validation of AMANDA, a new algorithm for selecting highly relevant regions in molecular interaction fields. J Chem Inf Mod. 2008; 48: 1813-23.. PMID: 18693718 . DOI: 10.1021/ci800037t.

2008



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