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Nuria B. Centeno · SciRah

Researcher profile · Semantic Scholar

Nuria B. Centeno

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Nuria B. Centeno — researcher profile on SciRah

h-index: 14
Works: 36
Citations: 555

Most-cited papers

3D-QSAR methods on the basis of ligand–receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands
J. Lozano, M. Pastor, G. Cruciani, Katrin Gaedt +3 more
2000J. Comput. Aided Mol. Des.60 citations
Semantic Scholar
Iodine Atoms: A New Molecular Feature for the Design of Potent Transthyretin Fibrillogenesis Inhibitors
T. Mairal, J. Nieto, Marta Pinto, M. R. Almeida +11 more
2009PLoS ONE53 citations Open access
Semantic Scholar
Comparative modelling of protein structure and its impact on microbial cell factories
Nuria B. Centeno, Joan Planas-Iglesias, Baldomero Oliva
2005Microbial Cell Factories53 citations Open access
Semantic Scholar
New serotonin 5-HT(2A), 5-HT(2B), and 5-HT(2C) receptor antagonists: synthesis, pharmacology, 3D-QSAR, and molecular modeling of (aminoalkyl)benzo and heterocycloalkanones.
J. Brea, J. Rodrigo, Antonio Carrieri, F. Sanz +10 more
2002Journal of Medicinal Chemistry53 citations Open access
Semantic Scholar
Three-dimensional modelling of human cytochrome P450 1A2 and its interaction with caffeine and MeIQ
J. Lozano, Elena López-de-Briñas, Nuria B. Centeno, R. Guigó +1 more
1997J. Comput. Aided Mol. Des.36 citations
Semantic Scholar
8-Substituted-9-deazaxanthines as adenosine receptor ligands: design, synthesis and structure-affinity relationships at A2B.
A. Carotti, A. Stefanachi, E. Raviña, E. Sotelo +4 more
2004European journal of medicinal chemistry26 citations
Semantic Scholar
Teaching structural bioinformatics at the undergraduate level
Nuria B. Centeno, Jordi Villà-Freixa, B. Oliva
200326 citations Open access
Semantic Scholar
Novel approaches for modeling of the A1 adenosine receptor and its agonist binding site
H. Gutiérrez-de-Terán, Nuria B. Centeno, M. Pastor, F. Sanz
2004Proteins: Structure, Function, and Bioinformatics25 citations
Semantic Scholar
1-, 3- and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A2B adenosine receptor.
A. Stefanachi, J. Bréa, M. Cadavid, Nuria B. Centeno +10 more
2008Bioorganic & Medicinal Chemistry24 citations Open access
Semantic Scholar
Modulation of the fibrillogenesis inhibition properties of two transthyretin ligands by halogenation.
Ellen Y. Cotrina, Marta Pinto, Lluís Bosch, M. Vila +6 more
2013Journal of Medicinal Chemistry23 citations
Semantic Scholar
Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore
O. Nicolotti, M. Pellegrini-Calace, Antonio Carrieri, C. Altomare +3 more
2001J. Comput. Aided Mol. Des.22 citations
Semantic Scholar
Computational Study of the Conformational Domains of Peptide T
M. Filizola, Nuria B. Centeno, Juan J. Perez
1997Journal of Peptide Science21 citations
Semantic Scholar
Structure − Activity Relationship Study of Opiorphin , a Human Dual Ectopeptidase Inhibitor with Antinociceptive Properties
Mònica Rosa, G. Arsequell, C. Rougeot, L. Calle +5 more
201219 citations
Semantic Scholar
Pyridazine derivatives. Part 27: A joint theoretical and experimental approach to the synthesis of 6-phenyl-4,5-disubstituted-3(2H)-pyridazinones
E. Sotelo, Nuria B. Centeno, J. Rodrigo, E. Raviña
200215 citations
Semantic Scholar
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, Nuria B. Centeno, J. Rodrigo, Ferran Sanz +1 more
2001Proteins: Structure, Function, and Bioinformatics12 citations
Semantic Scholar
Comparison of biomolecules on the basis of Molecular Interaction Potentials
J. Rodrigo, M. Barbany, H. Gutiérrez-de-Terán, Nuria B. Centeno +7 more
200211 citations Open access
Semantic Scholar
Conformational analysis of the highly potent bradykinin antagonist Hoe-140 by means of two different computational methods.
Marta Filizola, Nuria B. Centeno, M. Cartenì-Farina, Juan J. Perez
1998Journal of Biomolecular Structure and Dynamics11 citations
Semantic Scholar
Comparative Analysis of Putative Agonist‐Binding Modes in the Human A1 Adenosine Receptor
H. Gutiérrez-de-Terán, M. Pastor, Nuria B. Centeno, J. Åqvist +1 more
2004ChemBioChem10 citations
Semantic Scholar
A proposed bioactive conformation of Peptide T
Nuria B. Centeno, J. Pérez
1998J. Comput. Aided Mol. Des.10 citations
Semantic Scholar
Proposed Bioactive Conformations of Opiorphin, an Endogenous Dual APN/NEP Inhibitor.
Marta Pinto, C. Rougeot, Luis Gracia, Mònica Rosa +4 more
2012ACS Medicinal Chemistry Letters9 citations Open access
Semantic Scholar
Optimization of kinetic stabilizers of tetrameric transthyretin: A prospective ligand efficiency-guided approach.
Ellen Y. Cotrina, D. Blasi, M. Vila, A. Planas +4 more
2020Bioorganic & Medicinal Chemistry5 citations Open access
Semantic Scholar
On the bioactive conformation of a small peptide and its set of thermodynamically accessible conformations.
J. Pérez, M. Sharkey, Nuria B. Centeno
1996Journal of Biomolecular Structure and Dynamics5 citations
Semantic Scholar
New insights into the multiple minima problem associated with the conformational space of peptides
Nuria B. Centeno, J. Pérez
19955 citations
Semantic Scholar
Characterization of the conformational domains of bradykinin by computational methods
J. Pérez, Yolanda M. Sanchez, Nuria B. Centeno
1995Journal of Peptide Science5 citations
Semantic Scholar
A proposed bioactive form of peptide T and the design of peptidomimetics
Oriol Llorens, Nuria B. Centeno, M. Filizola, S. Spisani +4 more
1998Letters in peptide science3 citations
Semantic Scholar
Conformational study of the preferred conformations of the peptide sequence VP3(110–121) of HAV by circular dichroism and molecular mechanics
J. Cantó, José Antonio Fornos Pérez, Nuria B. Centeno, I. Haro +1 more
1997Letters in peptide science3 citations
Semantic Scholar
Corrigendum to “1-, 3- and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A2B adenosine receptor” [Bioorg. Med. Chem. 16 (2008) 2852–2869]
A. Stefanachi, J. Brea, M. Cadavid, Nuria B. Centeno +10 more
20082 citations Open access
Semantic Scholar
Erratum to 'Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore' [J. Comput. Aid. Mol. Des., Vol. 15 (2001) 859]
O. Nicolotti, M. Pellegrini-Calace, Antonio Carrieri, C. Altomare +3 more
2001J. Comput. Aided Mol. Des.2 citations
Semantic Scholar
Pharmacophore Development for the Interaction of Cytochrome P450 1A2 with Its Substrates and Inhibitors
Elena López-de-Briñas, J. Lozano, Nuria B. Centeno, J. Segura +3 more
20002 citations
Semantic Scholar
New insights into the multiple minima problem
J. Pérez, Nuria B. Centeno
19962 citations
Semantic Scholar
Design , Synthesis , and Structure-Activity Relationships of 1-, 3-, 8-, and 9-Substituted-9-deazaxanthines at the Human A 2 B Adenosine Receptor
A. Carotti, M. Cadavid, Nuria B. Centeno, C. Esteve +9 more
2 citations
Semantic Scholar
Ligand efficiency indices as a navigation tool in the transthyretin protein chemico-biological space to find new amyloidogenic inhibitors
D. Blasi, G. Arsequell, G. Valencia, J. Nieto +5 more
20111 citations Open access
Semantic Scholar
DRUG DISCOVERY FOR TTR-RELATED AMYLOSIDOSIS THROUGH ANALYSIS OF THE CHEMICO-BIOLOGICAL SPACE USING LEI
D. Blasi, Ellen Y. Cotrina, Lluís Bosch, M. Vila +5 more
20110 citations
Semantic Scholar
A proposed bioactive form of peptide T and the design of peptidomimetics
Oriol Llorens, Nuria B. Centeno, M. Filizola, S. Spisani +4 more
2004Letters in peptide science0 citations
Semantic Scholar
Articles Teaching Structural Bioinformatics at the Undergraduate Level
Nuria B. Centeno, B. Oliva
20030 citations
Semantic Scholar
3D QSAR on Mutagenic Heterocyclic Amines That are Substrates of Cytochrome P450 1A2
J. Lozano, M. Pastor, F. Gago, G. Cruciani +2 more
20000 citations
Semantic Scholar

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