Published in Proteins on August 15, 2004
BRUTUS: optimization of a grid-based similarity function for rigid-body molecular superposition. II. Description and characterization. J Comput Aided Mol Des (2006) 0.83
Pathway databases and tools for their exploitation: benefits, current limitations and challenges. Mol Syst Biol (2009) 2.03
Inroads to predict in vivo toxicology-an introduction to the eTOX Project. Int J Mol Sci (2012) 1.64
Chromatin-bound IκBα regulates a subset of polycomb target genes in differentiation and cancer. Cancer Cell (2013) 1.61
DisGeNET: a Cytoscape plugin to visualize, integrate, search and analyze gene-disease networks. Bioinformatics (2010) 1.54
Gene-disease network analysis reveals functional modules in mendelian, complex and environmental diseases. PLoS One (2011) 1.51
[Health information on the Internet and trust marks as quality indicators: vaccines case study]. Aten Primaria (2009) 1.49
OSIRIS: a tool for retrieving literature about sequence variants. Bioinformatics (2006) 1.42
A multiscale simulation system for the prediction of drug-induced cardiotoxicity. J Chem Inf Model (2011) 1.38
Anchor-GRIND: filling the gap between standard 3D QSAR and the GRid-INdependent descriptors. J Med Chem (2005) 1.26
Induced effects of sodium ions on dopaminergic G-protein coupled receptors. PLoS Comput Biol (2010) 1.25
A C-terminal mutation of ATP1A3 underscores the crucial role of sodium affinity in the pathophysiology of rapid-onset dystonia-parkinsonism. Hum Mol Genet (2009) 1.18
OSIRISv1.2: a named entity recognition system for sequence variants of genes in biomedical literature. BMC Bioinformatics (2008) 1.13
Personalized respiratory medicine: exploring the horizon, addressing the issues. Summary of a BRN-AJRCCM workshop held in Barcelona on June 12, 2014. Am J Respir Crit Care Med (2015) 1.12
From SNPs to pathways: integration of functional effect of sequence variations on models of cell signalling pathways. BMC Bioinformatics (2009) 1.08
The Virtual Physiological Human ToolKit. Philos Trans A Math Phys Eng Sci (2010) 1.04
New model of cystic fibrosis transmembrane conductance regulator proposes active channel-like conformation. J Chem Inf Model (2012) 1.03
Knowledge management for systems biology a general and visually driven framework applied to translational medicine. BMC Syst Biol (2011) 1.01
Amyloid-dependent triosephosphate isomerase nitrotyrosination induces glycation and tau fibrillation. Brain (2009) 0.96
Molecular dynamics simulations reveal insights into key structural elements of adenosine receptors. Biochemistry (2011) 0.96
Automatic filtering and substantiation of drug safety signals. PLoS Comput Biol (2012) 0.96
The EU-ADR Web Platform: delivering advanced pharmacovigilance tools. Pharmacoepidemiol Drug Saf (2012) 0.95
Knowledge engineering for health: a new discipline required to bridge the "ICT gap" between research and healthcare. Hum Mutat (2012) 0.91
Knowledge environments representing molecular entities for the virtual physiological human. Philos Trans A Math Phys Eng Sci (2008) 0.91
Identifying gene-specific variations in biomedical text. J Bioinform Comput Biol (2007) 0.91
Drug-induced acute myocardial infarction: identifying 'prime suspects' from electronic healthcare records-based surveillance system. PLoS One (2013) 0.88
Recombinant plasmepsin 1 from the human malaria parasite plasmodium falciparum: enzymatic characterization, active site inhibitor design, and structural analysis. Biochemistry (2009) 0.88
Network medicine analysis of COPD multimorbidities. Respir Res (2014) 0.87
Applicability Domain ANalysis (ADAN): a robust method for assessing the reliability of drug property predictions. J Chem Inf Model (2014) 0.85
Macrocyclic inhibitors of the malarial aspartic proteases plasmepsin I, II, and IV. Bioorg Med Chem (2005) 0.85
Crystal structure of thioflavin-T and its binding to amyloid fibrils: insights at the molecular level. Chem Commun (Camb) (2010) 0.85
Multistructure 3D-QSAR studies on a series of conformationally constrained butyrophenones docked into a new homology model of the 5-HT2A receptor. J Med Chem (2007) 0.85
Synthesis, binding affinity and SAR of new benzolactam derivatives as dopamine D3 receptor ligands. Bioorg Med Chem Lett (2009) 0.83
A truncated form of IKKα is responsible for specific nuclear IKK activity in colorectal cancer. Cell Rep (2012) 0.83
QF2004B, a potential antipsychotic butyrophenone derivative with similar pharmacological properties to clozapine. Neuropharmacology (2006) 0.83
Novel insights into biased agonism at G protein-coupled receptors and their potential for drug design. Curr Pharm Des (2013) 0.82
On the generation of catalytic antibodies by transition state analogues. Chembiochem (2003) 0.82
Incorporating molecular shape into the alignment-free Grid-Independent Descriptors. J Med Chem (2004) 0.82
Simulation methods with extended stability for stiff biochemical Kinetics. BMC Syst Biol (2010) 0.82
In silico directed chemical probing of the adenosine receptor family. Bioorg Med Chem (2010) 0.82
Distinction between asymptomatic monoclonal B-cell lymphocytosis with cyclin D1 overexpression and mantle cell lymphoma: from molecular profiling to flow cytometry. Clin Cancer Res (2013) 0.82
Multi-receptor binding profile of clozapine and olanzapine: a structural study based on the new beta2 adrenergic receptor template. ChemMedChem (2008) 0.82
Characterization of the homodimerization interface and functional hotspots of the CXCR4 chemokine receptor. Proteins (2012) 0.82
1-, 3- and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A2B adenosine receptor. Bioorg Med Chem (2008) 0.81
A chemocentric approach to the identification of cancer targets. PLoS One (2012) 0.81
Pyrimidine derivatives as potent and selective A3 adenosine receptor antagonists. J Med Chem (2010) 0.81
Statistical analysis of global connectivity and activity distributions in cellular networks. J Comput Biol (2010) 0.81
The role of residue stability in transient protein-protein interactions involved in enzymatic phosphate hydrolysis. A computational study. Proteins (2006) 0.81
Continuing education and community pharmacists in Galicia: a study of opinions. Pharm World Sci (2004) 0.81
Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A(1), A (2A), A (2B), and A (3) receptor antagonists. J Comput Aided Mol Des (2012) 0.80
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 Med Chem (2002) 0.79
Synthesis, 3D-QSAR, and structural modeling of benzolactam derivatives with binding affinity for the D(2) and D(3) receptors. ChemMedChem (2010) 0.79
Phe369(7.38) at human 5-HT(7) receptors confers interspecies selectivity to antagonists and partial agonists. Br J Pharmacol (2009) 0.79
Analysis of electrostatic contributions to the selectivity of interactions between RING-finger domains and ubiquitin-conjugating enzymes. Proteins (2009) 0.78
Use of alignment-free molecular descriptors in diversity analysis and optimal sampling of molecular libraries. Mol Divers (2003) 0.78
Computational prediction of structure-activity relationships for the binding of aminocyclitols to β-glucocerebrosidase. J Chem Inf Model (2011) 0.77
Framework-based design of a new all-purpose molecular simulation application: the Adun simulator. J Comput Chem (2005) 0.77
The impact of computer science in molecular medicine: enabling high-throughput research. Curr Top Med Chem (2013) 0.77
Rational design of a cyclin A fluorescent peptide sensor. Org Biomol Chem (2011) 0.77
Computational approaches for ligand discovery and design in class-A G protein- coupled receptors. Curr Pharm Des (2013) 0.77
alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases. Bioorg Med Chem (2009) 0.77
Comparative analysis of putative agonist-binding modes in the human A1 adenosine receptor. Chembiochem (2004) 0.76
Conformationally constrained butyrophenones as new pharmacological tools to study 5-HT 2A and 5-HT 2C receptor behaviours. Eur J Med Chem (2003) 0.76
Computational study on the carboligation reaction of acetohidroxyacid synthase: new approach on the role of the HEThDP- intermediate. Proteins (2010) 0.76
Discussion of "The New Role of Biomedical Informatics in the Age of Digital Medicine". Methods Inf Med (2016) 0.76
Mutagenesis of human neuropeptide Y/peptide YY receptor Y2 reveals additional differences to Y1 in interactions with highly conserved ligand positions. Regul Pept (2010) 0.76
INFOBIOMED: European Network of Excellence on Biomedical Informatics to support individualised healthcare. AMIA Annu Symp Proc (2005) 0.76
Identification of positions in the human neuropeptide Y/peptide YY receptor Y2 that contribute to pharmacological differences between receptor subtypes. Neuropeptides (2011) 0.76
Synthesis, binding affinity, and molecular docking analysis of new benzofuranone derivatives as potential antipsychotics. J Med Chem (2008) 0.76
Novel approaches for modeling of the A1 adenosine receptor and its agonist binding site. Proteins (2004) 0.76
Mutagenesis and computational modeling of human G-protein-coupled receptor Y2 for neuropeptide Y and peptide YY. Biochemistry (2013) 0.76
A novel multilevel statistical method for the study of the relationships between multireceptorial binding affinity profiles and in vivo endpoints. Mol Pharmacol (2009) 0.76
Distant collaboration in drug discovery: the LINK3D project. J Comput Aided Mol Des (2002) 0.76
Design, synthesis, and structure-activity relationships of 1-,3-,8-, and 9-substituted-9-deazaxanthines at the human A2B adenosine receptor. J Med Chem (2006) 0.75
Multiscale molecular dynamics of protein aggregation. Curr Protein Pept Sci (2011) 0.75
Antiretroviral therapy suppressed participants with low CD4+ T-cell counts segregate according to opposite immunological phenotypes. AIDS (2016) 0.75
Influence of pH on the binding of diphenylmethylenepiperidines by 5-HT2B receptors in rat stomach fundus. Chem Pharm Bull (Tokyo) (2002) 0.75
Free energy calculations of A(2A) adenosine receptor mutation effects on agonist binding. Chem Commun (Camb) (2015) 0.75
Structure-based design of new KSP-Eg5 inhibitors assisted by a targeted multicomponent reaction. Chembiochem (2014) 0.75
Synthesis, adenosine receptor binding and 3D-QSAR of 4-substituted 2-(2'-furyl)-1,2,4-triazolo[1,5-a]quinoxalines. Bioorg Med Chem (2008) 0.75
Aryl Sulfonamide Inhibitors of Insulin-Regulated Aminopeptidase Enhance Spine Density in Primary Hippocampal Neuron Cultures. ACS Chem Neurosci (2016) 0.75
[Computer-assisted clinical decision support systems]. Med Clin (Barc) (2004) 0.75
[Analysis of knowledge of international criteria for authorship by the Spanish researchers]. Med Clin (Barc) (2009) 0.75
Toward an optimal docking and free energy calculation scheme in ligand design with application to COX-1 inhibitors. J Chem Inf Model (2014) 0.75
[Assessing the implementation of the VisualCor software in medical practice]. Med Clin (Barc) (2005) 0.75
Selective and potent adenosine A3 receptor antagonists by methoxyaryl substitution on the N-(2,6-diarylpyrimidin-4-yl)acetamide scaffold. Eur J Med Chem (2012) 0.75