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Results 71 - 80 of about 96

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

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Fontaine F, Pastor M, Gutiérrez-de-Terán H, Lozano JJ, Sanz F. Use of alignment-free molecular descriptors in diversity analysis and optimal sampling of molecular libraries. Mol Divers 2003; 6: 135-47.

2003

Original articles in indexed journals - PharmacoInformatics

Zamora I, Oprea T, Cruciani G, Pastor M, Ungell AL. Surface Descriptors for Protein-Ligand Affinity Prediction. J Med Chem 2003; 46: 25-33.

2003

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Nicolotti O, Pellegrini ML, Altomare C, Carotti A, Sanz F. Ligand of neuronal nicotinic acetylcholine receptor (nAChR): inferences from the Hansch and 3-D Quantitative Structure-Activity Relationship (QSAR) models. Curr Med Chem 2002; 9: 1-29.

2002

Original articles in indexed journals - Integrative Biomedical Informatics - Computational Biochemistry - PharmacoInformatics

Rodrigo J, Barbany M, Gutierrez-de-Teran H, Centeno NB, de-Caceres M, Dezi C, Fontaine F, Lozano JJ, Pastor M, Villa-Freixa J, Sanz F. Comparison of Biomolecules on the Basis of Molecular Interaction Potentials. J Braz Chem Soc, 2002; 13: 795-9

2002

Original articles in indexed journals - PharmacoInformatics

Brea J, Rodrigo J, Carrieri A, Sanz F, Cadavid MI, Enguix MJ, Villazón M, Mengod G, Caro Y, Masaguer CF, Raviña E, Centeno NB, Carotti A, Loza MI. New Serotonin 5-HT2A, 5-HT2B and 5-HT2C Receptor Antagonists: Synthesis, Pharmacology, 3D-QSAR and Molecular Modeling of (Aminoalkyl)benzo and Heterocycloalkanones. J Med Chem 2002; 45: 54-71.

2002

Original articles in indexed journals - PharmacoInformatics

Benedetti P, Mannhold R, Cruciani G, Pastor M. GBR Compounds and Mepyramines as Cocaine Abuse Therapeutics: Chemometric Studies on Selectivity Using Grid Independent Descriptors (GRIND). J Med Chem 2002; 45: 1577-84.

2002

Original articles in indexed journals - PharmacoInformatics

Cruciani G, Pastor M, Mannhold R. Suitability of molecular descriptors for database mining. A comparative analysis. J Med Chem 2002; 45: 2685-94.

2002

Original articles in indexed journals - Integrative Biomedical Informatics - PharmacoInformatics

Nicolotti O, Pellegrini ML, Carrieri A, Altomare C, Centeno NB, Sanz F, Carotti A. Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore. J Comput Aid Mol Des 2001; 15: 859-72.

2001

Original articles in indexed journals - PharmacoInformatics

Cuevas C, Pastor M, Pérez C, Gago F. Comparative Binding Energy (COMBINE) Analysis of Human Neutrophil Elastase Inhibition by Pyridone-containing Trifluoromethylketone. Comb Chem High T Scr 2001; 4: 627-42.

2001



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