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3D-QSAR methods on the basis of ligand–receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands
JJ Lozano, M Pastor, G Cruciani, K Gaedt, NB Centeno, F Gago, F Sanz
Journal of Computer-Aided Molecular Design 14 (4), 341-353, 2000
1002000
New Serotonin 5-HT2A, 5-HT2B, and 5-HT2C Receptor Antagonists:  Synthesis, Pharmacology, 3D-QSAR, and Molecular Modeling of (Aminoalkyl)benzo and …
J Brea, J Rodrigo, A Carrieri, F Sanz, MI Cadavid, MJ Enguix, M Villazón, ...
Journal of medicinal chemistry 45 (1), 54-71, 2002
772002
Three-dimensional modelling of human cytochrome P450 1A2 and its interaction with caffeine and MeIQ
JJ Lozano, E López-de-Briñas, NB Centeno, R Guigó, F Sanz
Journal of computer-aided molecular design 11 (4), 395-408, 1997
631997
Iodine atoms: a new molecular feature for the design of potent transthyretin fibrillogenesis inhibitors
T Mairal, J Nieto, M Pinto, MR Almeida, L Gales, A Ballesteros, ...
PLoS One 4 (1), e4124, 2009
592009
Design, Synthesis, and Structure−Activity Relationships of 1-,3-,8-, and 9-Substituted-9-deazaxanthines at the Human A2B Adenosine Receptor
A Carotti, MI Cadavid, NB Centeno, C Esteve, MI Loza, A Martinez, ...
Journal of medicinal chemistry 49 (1), 282-299, 2006
452006
Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore
O Nicolotti, M Pellegrini-Calace, A Carrieri, C Altomare, NB Centeno, ...
Journal of computer-aided molecular design 15 (9), 859-872, 2001
442001
1-, 3-and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A2B adenosine receptor
A Stefanachi, JM Brea, MI Cadavid, NB Centeno, C Esteve, MI Loza, ...
Bioorganic & medicinal chemistry 16 (6), 2852-2869, 2008
392008
8-Substituted-9-deazaxanthines as adenosine receptor ligands: design, synthesis and structure-affinity relationships at A2B
A Carotti, A Stefanachi, E Raviña, E Sotelo, MI Loza, MI Cadavid, ...
European journal of medicinal chemistry 39 (10), 879-887, 2004
392004
Novel approaches for modeling of the A1 adenosine receptor and its agonist binding site
H Gutiérrez‐de‐Terán, NB Centeno, M Pastor, F Sanz
Proteins: Structure, Function, and Bioinformatics 54 (4), 705-715, 2004
342004
Comparative modelling of protein structure and its impact on microbial cell factories
NB Centeno, J Planas-Iglesias, B Oliva
Microbial Cell Factories 4 (1), 1-11, 2005
312005
Pyridazine derivatives. Part 27: A joint theoretical and experimental approach to the synthesis of 6-phenyl-4, 5-disubstituted-3 (2H)-pyridazinones
E Sotelo, NB Centeno, J Rodrigo, E Raviña
Tetrahedron 58 (12), 2389-2395, 2002
302002
Computational study of the conformational domains of peptide T
M Filizola, NB Centeno, JJ Perez
Journal of Peptide Science: An Official Publication of the European Peptide …, 1997
291997
Teaching structural bioinformatics at the undergraduate level
NB Centeno, J Villà‐Freixa, B Oliva
Biochemistry and molecular biology education 31 (6), 386-391, 2003
272003
Theoretical evidence of a salt bridge disruption as the initiating process for the α1d‐adrenergic receptor activation: A molecular dynamics and docking study
A Carrieri, NB Centeno, J Rodrigo, F Sanz, A Carotti
Proteins: Structure, Function, and Bioinformatics 43 (4), 382-394, 2001
222001
Modulation of the fibrillogenesis inhibition properties of two transthyretin ligands by halogenation
EY Cotrina, M Pinto, L Bosch, M Vila, D Blasi, J Quintana, NB Centeno, ...
Journal of Medicinal Chemistry 56 (22), 9110-9121, 2013
212013
Comparative Analysis of Putative Agonist‐Binding Modes in the Human A1 Adenosine Receptor
H Gutiérrez‐de‐Terán, M Pastor, NB Centeno, J Åqvist, F Sanz
ChemBioChem 5 (6), 841-849, 2004
182004
Docking of a human rhinovirus neutralizing antibody onto the viral capsid
J Tormo, NB Centeno, E Fontana, T Bubendorfer, I Fita, D Blaas
Proteins: Structure, Function, and Bioinformatics 23 (4), 491-501, 1995
181995
Structure–Activity Relationship Study of Opiorphin, a Human Dual Ectopeptidase Inhibitor with Antinociceptive Properties
M Rosa, G Arsequell, C Rougeot, LP Calle, F Marcelo, M Pinto, ...
Journal of medicinal chemistry 55 (3), 1181-1188, 2012
152012
Comparison of biomolecules on the basis of Molecular Interaction Potentials
J Rodrigo, M Barbany, H Gutiérrez-de-Terán, NB Centeno, M de-Càceres, ...
Journal of the Brazilian Chemical Society 13, 795-799, 2002
142002
A proposed bioactive conformation of Peptide T
NB Centeno, JJ Perez
Journal of computer-aided molecular design 12 (1), 7-14, 1998
141998
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Articles 1–20