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Results 81 - 90 of about 113

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

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

Reviews in indexed journals - Structural Bioinformatics - Computational Biochemistry - PharmacoInformatics

Centeno NB, Villa-Freixa J, Oliva B. Teaching structural bioinformatics at the undergraduate level. Biochem Mol Biol Edu, 2003; 31(6): 386-91

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

Book chapters - Integrative Biomedical Informatics - PharmacoInformatics

Díaz C, Blat J, González A, Herráiz C, Laurie B, Molero E, Palmer JLS, Pastor M, Patak A, Ramírez A, Sanz F, Soto D and the LINK3D Consortium. LINK3D: secure linking of organisations involved in distributed drug discovery. In: Stanford-Smith B et al. Challenges and Achievements in E-business and E-work. Amsterdam: IOS Press; 2002. p. 1463-70.

2002

Book chapters - Integrative Biomedical Informatics - PharmacoInformatics

Fontaine F, Pastor M, Sanz F. Incorporating shape into the Grid-INdependent Descriptors: applications in 3D QSAR and bioactive conformation searching. Incorporating shape into the Grid-INdependent Descriptors: applications in 3D QSAR and bioactive conformation searching. Drugs Future 2002, 27 (Suppl. A), 232

2002



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