PubRank

Jordi Mestres

Author PubWeight™ 36.34‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 Data completeness--the Achilles heel of drug-target networks. Nat Biotechnol 2008 2.18
2 Indexing molecules with chemical graph identifiers. J Comput Chem 2011 1.42
3 Identification of pim kinases as novel targets for PJ34 with confounding effects in PARP biology. ACS Chem Biol 2012 1.07
4 Scientific competency questions as the basis for semantically enriched open pharmacological space development. Drug Discov Today 2013 1.04
5 A chemogenomic approach to drug discovery: focus on cardiovascular diseases. Drug Discov Today 2009 0.99
6 A ligand-based approach to mining the chemogenomic space of drugs. Comb Chem High Throughput Screen 2008 0.99
7 Guided docking approaches to structure-based design and screening. Curr Top Med Chem 2004 0.98
8 Anticipating drug side effects by comparative pharmacology. Expert Opin Drug Metab Toxicol 2010 0.98
9 Automatic filtering and substantiation of drug safety signals. PLoS Comput Biol 2012 0.96
10 The EU-ADR Web Platform: delivering advanced pharmacovigilance tools. Pharmacoepidemiol Drug Saf 2012 0.95
11 Combination of biological screening in a cellular model of viral latency and virtual screening identifies novel compounds that reactivate HIV-1. J Virol 2012 0.95
12 Chemical and biological profiling of an annotated compound library directed to the nuclear receptor family. Curr Top Med Chem 2005 0.94
13 iPHACE: integrative navigation in pharmacological space. Bioinformatics 2010 0.93
14 SHED: Shannon entropy descriptors from topological feature distributions. J Chem Inf Model 2006 0.92
15 Coverage and bias in chemical library design. Curr Opin Chem Biol 2008 0.91
16 PharmaTrek: A Semantic Web Explorer for Open Innovation in Multitarget Drug Discovery. Mol Inform 2012 0.89
17 Chemical probes for biological systems. Drug Discov Today 2010 0.89
18 Drug-induced acute myocardial infarction: identifying 'prime suspects' from electronic healthcare records-based surveillance system. PLoS One 2013 0.88
19 Prediction of the P. falciparum target space relevant to malaria drug discovery. PLoS Comput Biol 2013 0.87
20 FCP: functional coverage of the proteome by structures. Bioinformatics 2006 0.85
21 Linking off-target kinase pharmacology to the differential cellular effects observed among PARP inhibitors. Oncotarget 2014 0.85
22 Certification of occupational diseases as common diseases in a primary health care setting. Am J Ind Med 2005 0.85
23 Ligand-based approaches to in silico pharmacology. Methods Mol Biol 2011 0.85
24 Distant polypharmacology among MLP chemical probes. ACS Chem Biol 2014 0.84
25 Fragment-based discovery of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors. Bioorg Med Chem Lett 2010 0.84
26 Design of a general-purpose European compound screening library for EU-OPENSCREEN. ChemMedChem 2014 0.83
27 Multi-targeted activity of maslinic acid as an antimalarial natural compound. FEBS J 2011 0.83
28 Myxobacteria: natural pharmaceutical factories. Microb Cell Fact 2012 0.83
29 Applied information retrieval and multidisciplinary research: new mechanistic hypotheses in complex regional pain syndrome. J Biomed Discov Collab 2007 0.83
30 Cross-pharmacology analysis of G protein-coupled receptors. Curr Top Med Chem 2011 0.83
31 Mutual induced fit in cyclodextrin-rocuronium complexes. Org Biomol Chem 2005 0.82
32 Unsupervised guided docking of covalently bound ligands. J Comput Aided Mol Des 2004 0.82
33 In silico directed chemical probing of the adenosine receptor family. Bioorg Med Chem 2010 0.82
34 A chemocentric approach to the identification of cancer targets. PLoS One 2012 0.81
35 Identification of small molecule inhibitors of amyloid β-induced neuronal apoptosis acting through the imidazoline I(2) receptor. J Med Chem 2012 0.80
36 A canonical cation-π interaction stabilizes the agonist conformation of estrogen-like nuclear receptors. Eur Biophys J 2010 0.77
37 Exploring the effect of PARP-1 flexibility in docking studies. J Mol Graph Model 2013 0.76
38 Polypharmacology in Precision Oncology: Current Applications and Future Prospects. Curr Pharm Des 2016 0.75
39 Shaping the future of safer innovative drugs in Europe. Nat Biotechnol 2011 0.75
40 Chemoisosterism in the proteome. J Chem Inf Model 2013 0.75
41 Molecular Informatics - The First Year. Mol Inform 2011 0.75
42 Molecular Informatics Going "Fully Online". Mol Inform 2014 0.75
43 New chromene scaffolds for adenosine A(2A) receptors: synthesis, pharmacology and structure-activity relationships. Eur J Med Chem 2012 0.75
44 Editorial: Molecular Informatics Gaining Impact. Mol Inform 2012 0.75
45 Molecular Informatics: From Models to Systems and Beyond. Mol Inform 2016 0.75
46 Exploring the active site of human factor Xa protein by NMR screening of small molecule probes. Org Biomol Chem 2003 0.75
47 Correction to Insights from Fragment Hit Binding Assays by Molecular Simulations. J Chem Inf Model 2016 0.75
48 Editorial: Sustained Success of Molecular Informatics. Mol Inform 2013 0.75
49 Molecular Informatics - From Models to Molecules and Systems. Mol Inform 2010 0.75
50 Systems Approaches and Big Data in Molecular Informatics. Mol Inform 2015 0.75
51 Connecting small molecules to nuclear receptor pathways. Curr Top Med Chem 2007 0.75