Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Brea J, Castro M, Loza MI, Masaguer CF, Raviña E, Dezi C, Pastor M, Sanz F, Cabrero A, Galán-Rodríguez B, Fernández-Espejo E, Maldonado R and Robledo P. QF2004B, A potential antipsychotic butyrophenone derivative with similar pharmacological properties to clozapine. Neuropharmacology 2006; 51(2):251-62. PMID: 16697427 .

2006

Original articles in indexed journals - PharmacoInformatics

Zhou D, Afzelius L, Grimm SW, Andersson TB, Zauhar RJ, Zamora I. Comparison of methods for the prediction of the metabolic sites for CYP3A4-mediated metabolic reactions. Drug Metab Dispos 2006; 34(6):976-83. PMID: 16540587 . DOI: 10.1124/dmd.105.008631.

2006

Original articles in indexed journals - PharmacoInformatics

Neuhoff S, Artursson P, Zamora I, Ungell AL. Impact of Extracellular Protein Binding on Passive and Active Drug Transport Across Caco-2 Cells. Pharm Res 2006; 23(2): p.350-9.. PMID: 16388407 . DOI: 10.1007/s11095-005-9304-3.

2006

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Carotti A, Cadavid MI, Centeno NB, Esteve C, Loza MI, Martinez A, Nieto R, Ravina E, Sanz F, Segarra V, Sotelo E, Stefanachi A, Vidal B. Design, synthesis, and structure-activity relationships of 1-,3-,8-, and 9-substituted-9-deazaxanthines at the human A2B adenosine receptor. J Med Chem 2006; 49(1): 282-99.. PMID: 16392813 .

2006

Book chapters - Integrative Biomedical Informatics - PharmacoInformatics

Sanz-Navarro CF, Dezi C, Brea J, Pastor M, Sanz F. Molecular Dynamics Simulations of Conformational Changes in 7-helix Transmembrane Receptors. In: Simos T, Maroulis G (eds.). Lecture Series on Computer and Computational Sciences. Brill Academic Publishers; 2006. Volume 4A. Pag. 976.

2006

Book chapters - PharmacoInformatics

Pastor M. Alignment-independent descriptors from molecular interaction fields in Molecular Interaction Fields. Applications in Drug Discovery and ADME Prediction. Ed. Cruciani G. Wiley-VCH Weinheim; 2006: 117-65.

2006

Reviews in indexed journals - Structural Bioinformatics - PharmacoInformatics

Centeno NB, Planas-Iglesias J, Oliva B. Comparative modelling of protein structure and its impact on microbial cell factories. Microb Cell Fact 2005; 4 (20). PMID: 15989691 . DOI: 10.1186/1475-2859-4-20.

2005

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Fontaine F, Pastor M, Zamora I, Sanz F. Anchor-GRIND: Filling the Gap between Standard 3D QSAR and the GRid-INdependent Descriptors. J Med Chem 2005; 48: 2687-94.. PMID: 15801859 .

2005

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Gutiérrez-de-Terán H, Centeno NB, Pastor M, Sanz F. Novel approaches for modeling of the A1 adenosine receptor and its agonist binding site. Proteins 2004; 54: 705-15.

2004

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Gutiérrez-de-Terán H, Pastor M, Centeno NB, Aqvist J, Sanz F. Comparative analysis of putative agonist binding modes in the human A1 adenosine receptor. ChemBioChem 2004; 5: 841-9.

2004