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Publications

Results 81 - 90 of about 115

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

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



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