PubRank

William J Welsh

Author PubWeight™ 79.73‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 Highly chlorinated PCBs inhibit the human xenobiotic response mediated by the steroid and xenobiotic receptor (SXR). Environ Health Perspect 2004 2.16
2 Bisphenol A and its analogues activate human pregnane X receptor. Environ Health Perspect 2012 1.81
3 Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J Comput Aided Mol Des 2011 1.68
4 Gaussian mixture clustering and imputation of microarray data. Bioinformatics 2004 1.49
5 Shape signatures: a new approach to computer-aided ligand- and receptor-based drug design. J Med Chem 2003 1.39
6 Human pregnane X receptor antagonists and agonists define molecular requirements for different binding sites. Mol Pharmacol 2007 1.39
7 Detecting hidden sequence propensity for amyloid fibril formation. Protein Sci 2004 1.25
8 DNA microarray data imputation and significance analysis of differential expression. Bioinformatics 2005 1.24
9 New predictive models for blood-brain barrier permeability of drug-like molecules. Pharm Res 2008 1.20
10 Highly potent triazole-based tubulin polymerization inhibitors. J Med Chem 2007 1.13
11 Improved method for predicting beta-turn using support vector machine. Bioinformatics 2005 1.10
12 Evolving carbapenemases: can medicinal chemists advance one step ahead of the coming storm? J Med Chem 2010 1.09
13 Evolution of the bile salt nuclear receptor FXR in vertebrates. J Lipid Res 2008 1.08
14 Ligand specificity and evolution of liver X receptors. J Steroid Biochem Mol Biol 2008 1.06
15 Inhibition of human liver catechol-O-methyltransferase by tea catechins and their metabolites: structure-activity relationship and molecular-modeling studies. Biochem Pharmacol 2005 1.04
16 Shape Signatures: speeding up computer aided drug discovery. Drug Discov Today 2006 1.03
17 Quantitative structure-activity relationship methods: perspectives on drug discovery and toxicology. Environ Toxicol Chem 2003 1.03
18 Requirement of activated Cdc42-associated kinase for survival of v-Ras-transformed mammalian cells. Mol Cancer Res 2005 1.03
19 Shape signatures: new descriptors for predicting cardiotoxicity in silico. Chem Res Toxicol 2008 1.01
20 Using surrogate modeling in the prediction of fibrinogen adsorption onto polymer surfaces. J Chem Inf Comput Sci 2004 1.00
21 Enrichment of ligands for the serotonin receptor using the Shape Signatures approach. J Chem Inf Model 2005 1.00
22 Homology model of the CB1 cannabinoid receptor: sites critical for nonclassical cannabinoid agonist interaction. Biopolymers 2003 0.99
23 Structure-based design of novel small-molecule inhibitors of Plasmodium falciparum. J Chem Inf Model 2010 0.99
24 Computational discovery of novel low micromolar human pregnane X receptor antagonists. Mol Pharmacol 2008 0.98
25 Prediction of the orientations of adsorbed protein using an empirical energy function with implicit solvation. Langmuir 2005 0.98
26 Wavelet analysis of DNA walks. J Comput Biol 2006 0.98
27 Carbohydrate composition of amphiphilic macromolecules influences physicochemical properties and binding to atherogenic scavenger receptor A. Acta Biomater 2012 0.97
28 A new approach to the rationale discovery of polymeric biomaterials. Biomaterials 2007 0.96
29 Development and application of hybrid structure based method for efficient screening of ligands binding to G-protein coupled receptors. J Comput Aided Mol Des 2006 0.95
30 Identification of a minimal subset of receptor conformations for improved multiple conformation docking and two-step scoring. J Chem Inf Comput Sci 2004 0.93
31 Novel microtubule polymerization inhibitor with potent antiproliferative and antitumor activity. Cancer Res 2009 0.93
32 Prediction of Fibrinogen Adsorption for Biodegradable Polymers: Integration of Molecular Dynamics and Surrogate Modeling. Polymer (Guildf) 2007 0.92
33 Structure-activity relationship approaches and applications. Environ Toxicol Chem 2003 0.92
34 Rapid assessment of contact-dependent secondary structure propensity: relevance to amyloidogenic sequences. Proteins 2005 0.92
35 NetCSSP: web application for predicting chameleon sequences and amyloid fibril formation. Nucleic Acids Res 2009 0.92
36 Three-dimensional structure-activity relationship modeling of cocaine binding to two monoclonal antibodies by comparative molecular field analysis. J Mol Biol 2003 0.90
37 Potent inhibitors of human organic anion transporters 1 and 3 from clinical drug libraries: discovery and molecular characterization. Mol Pharm 2012 0.89
38 Elucidation of the Na+, K+-ATPase digitalis binding site. J Mol Graph Model 2005 0.89
39 Identification of previously unrecognized antiestrogenic chemicals using a novel virtual screening approach. Chem Res Toxicol 2006 0.89
40 In silico design of anti-atherogenic biomaterials. Biomaterials 2013 0.89
41 Hybrid scoring and classification approaches to predict human pregnane X receptor activators. Pharm Res 2008 0.88
42 The major human pregnane X receptor (PXR) splice variant, PXR.2, exhibits significantly diminished ligand-activated transcriptional regulation. Drug Metab Dispos 2009 0.87
43 Salicylanilide inhibitors of Toxoplasma gondii. J Med Chem 2012 0.87
44 Unique helical conformation of the fourth cytoplasmic loop of the CB1 cannabinoid receptor in a negatively charged environment. J Struct Biol 2007 0.86
45 CSSP2: an improved method for predicting contact-dependent secondary structure propensity. Comput Biol Chem 2007 0.85
46 Combining (1)H NMR spectroscopy and chemometrics to identify heparin samples that may possess dermatan sulfate (DS) impurities or oversulfated chondroitin sulfate (OSCS) contaminants. J Pharm Biomed Anal 2010 0.84
47 Three-dimensional quantitative structure-activity relationship study of the inhibition of Na(+),K(+)-ATPase by cardiotonic steroids using comparative molecular field analysis. Biochemistry 2002 0.84
48 Predicting inhibitors of acetylcholinesterase by regression and classification machine learning approaches with combinations of molecular descriptors. Pharm Res 2009 0.84
49 Application of screening methods, shape signatures and engineered biosensors in early drug discovery process. Pharm Res 2009 0.83
50 Highly predictive CoMFA and CoMSIA models for two series of stromelysin-1 (MMP-3) inhibitors elucidate S1' and S1-S2' binding modes. J Chem Inf Model 2006 0.83
51 Interaction of organophosphate pesticides and related compounds with the androgen receptor. Environ Health Perspect 2003 0.83
52 3D-QSAR comparative molecular field analysis on opioid receptor antagonists: pooling data from different studies. J Med Chem 2005 0.83
53 Molecular interaction of the antagonist N-(piperidin-1-yl)-5-(4-chlorophenyl)-1- (2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide with the CB1 cannabinoid receptor. J Med Chem 2002 0.83
54 Structural characterization of the zinc binding domain in cytosolic PSD-95 interactor (cypin): Role of zinc binding in guanine deamination and dendrite branching. Proteins 2008 0.83
55 Discovery of novel triazole-based opioid receptor antagonists. J Med Chem 2006 0.82
56 Halogenated ligands and their interactions with amino acids: implications for structure-activity and structure-toxicity relationships. J Mol Graph Model 2008 0.82
57 Determination of galactosamine impurities in heparin samples by multivariate regression analysis of their (1)H NMR spectra. Anal Bioanal Chem 2010 0.81
58 Pregnane X receptor mediates dyslipidemia induced by the HIV protease inhibitor amprenavir in mice. Mol Pharmacol 2013 0.81
59 Human ADA3 regulates RARalpha transcriptional activity through direct contact between LxxLL motifs and the receptor coactivator pocket. Nucleic Acids Res 2010 0.81
60 A preliminary in silico lead series of 2-phthalimidinoglutaric acid analogues designed as MMP-3 inhibitors. J Chem Inf Model 2006 0.81
61 Computational studies on tetrahydropyrimidine-2-one HIV-1 protease inhibitors: improving three-dimensional quantitative structure-activity relationship comparative molecular field analysis models by inclusion of calculated inhibitor- and receptor-based properties. J Med Chem 2002 0.81
62 Three-dimensional quantitative structure-property relationship (3D-QSPR) models for prediction of thermodynamic properties of polychlorinated biphenyls (PCBs): enthalpies of fusion and their application to estimates of enthalpies of sublimation and aqueous solubilities. J Chem Inf Comput Sci 2003 0.80
63 Understanding nuclear receptors using computational methods. Drug Discov Today 2009 0.80
64 ebTrack: an environmental bioinformatics system built upon ArrayTrack. BMC Proc 2009 0.80
65 Structural model reveals key interactions in the assembly of the pregnane X receptor/corepressor complex. Mol Pharmacol 2006 0.80
66 Identification of small molecule compounds with higher binding affinity to guanine deaminase (cypin) than guanine. Bioorg Med Chem 2010 0.80
67 3D-QSAR comparative molecular field analysis on delta opioid receptor agonist SNC80 and its analogs. J Mol Graph Model 2005 0.80
68 Volume learning algorithm significantly improved PLS model for predicting the estrogenic activity of xenoestrogens. J Mol Graph Model 2007 0.78
69 Identification of heparin samples that contain impurities or contaminants by chemometric pattern recognition analysis of proton NMR spectral data. Anal Bioanal Chem 2011 0.78
70 Computational models for predicting the binding affinities of ligands for the wild-type androgen receptor and a mutated variant associated with human prostate cancer. Chem Res Toxicol 2003 0.78
71 Evaluation of broad spectrum protein kinase inhibitors to probe the architecture of the malarial cyclin dependent protein kinase Pfmrk. Bioorg Med Chem Lett 2007 0.78
72 Three-dimensional quantitative structure--property relationship (3D-QSPR) models for prediction of thermodynamic properties of polychlorinated biphenyls (PCBs): enthalpy of sublimation. J Chem Inf Comput Sci 2002 0.78
73 Identification of possible kinetically significant anion-binding sites in human serum transferrin using molecular modeling strategies. Biopolymers 2004 0.78
74 Influence of the structural diversity of data sets on the statistical quality of three-dimensional quantitative structure-activity relationship (3D-QSAR) models: predicting the estrogenic activity of xenoestrogens. Chem Res Toxicol 2002 0.78
75 Three-dimensional quantitative structure-activity relationship analysis of ligand binding to human sequence antidigoxin monoclonal antibodies using comparative molecular field analysis. J Med Chem 2002 0.77
76 Fragment-based Shape Signatures: a new tool for virtual screening and drug discovery. J Comput Aided Mol Des 2013 0.77
77 Three-dimensional structure-activity relationship modeling of digoxin inhibition and docking to Na+,K+-ATPase. Ann N Y Acad Sci 2003 0.77
78 Rational inhibitor design and iterative screening in the identification of selective plasmodial cyclin dependent kinase inhibitors. Comb Chem High Throughput Screen 2005 0.77
79 Novel delta opioid receptor agonists exhibit differential stimulation of signaling pathways. Bioorg Med Chem 2009 0.77
80 Class modeling analysis of heparin 1H NMR spectral data using the soft independent modeling of class analogy and unequal class modeling techniques. Anal Chem 2010 0.77
81 Identification of Nitazoxanide as a Group I Metabotropic Glutamate Receptor Negative Modulator for the Treatment of Neuropathic Pain: An In Silico Drug Repositioning Study. Pharm Res 2015 0.76
82 Discovery of novel alpha7 nicotinic receptor antagonists. Bioorg Med Chem Lett 2010 0.76
83 Cardiovascular outcomes and the physical and chemical properties of metal ions found in particulate matter air pollution: a QICAR study. Environ Health Perspect 2013 0.76
84 Rapid discovery of inhibitors of Toxoplasma gondii using hybrid structure-based computational approach. J Comput Aided Mol Des 2011 0.76
85 Structural model of the Plasmodium CDK, Pfmrk, a novel target for malaria therapeutics. J Mol Graph Model 2005 0.76
86 Characteristics of the Plasmodium falciparum PK5 ATP-binding site: implications for the design of novel antimalarial agents. J Mol Graph Model 2004 0.76
87 Fractal fingerprinting of chromatographic profiles based on wavelet analysis and its application to characterize the quality grade of medicinal herbs. J Chem Inf Comput Sci 2003 0.75
88 Three-dimensional quantitative structure-property relationship (3D-QSPR) models for prediction of thermodynamic properties of polychlorinated biphenyls (PCBs): enthalpy of vaporization. J Chem Inf Comput Sci 2002 0.75
89 Benzotropolone inhibitors of estradiol methylation: kinetics and in silico modeling studies. Bioorg Med Chem 2005 0.75