Tools
Results 71 - 80 of about 114
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
Original articles in indexed journals - PharmacoInformatics
Marrugat J, López-López JR, Heras M, Tamargo J, Valverde M, Executive members of the network HERACLES. La red cardiovascular HERACLES. Rev Esp Cardiol. 2008; 61: 66-75. PMID: 18221693 .
2008
