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Author Details

Stephen H Bryant
National Center for Biotechnology Information
1973
150
56
Andrej Sali (CM4AI)
PMIDPaper TitleJournal TitlePublished Year
31218344iCn3D, a web-based 3D viewer for sharing 1D/2D/3D representations of biomolecular structures.Bioinformatics2020
32006286Biological Assembly Comparison with VAST.Methods Mol Biol2020
29420684Open-source chemogenomic data-driven algorithms for predicting drug-target interactions.Brief Bioinform2019
30334203Finding Potential Multitarget Ligands Using PubChem.Methods Mol Biol2018
30311095A new chemoinformatics approach with improved strategies for effective predictions of potential drugs.J Cheminform2018
27899599PubChem BioAssay: 2017 update.Nucleic Acids Res2017
28316654Predicting drug-drug interactions through drug structural similarities and interaction networks incorporating pharmacokinetics and pharmacodynamics knowledge.J Cheminform2017
28079135Predicting drug-target interactions by dual-network integrated logistic matrix factorization.Sci Rep2017
28158543Supporting precision medicine by data mining across multi-disciplines: an integrative approach for generating comprehensive linkages between single nucleotide variants (SNVs) and drug-binding sites.Bioinformatics2017
28346087PubChem BioAssay: A Decade's Development toward Open High-Throughput Screening Data Sharing.SLAS Discov2017
29795804High-Throughput Screening Assay Datasets from the PubChem Database.Chem Inform2017
28577120Large-Scale Prediction of Drug-Target Interaction: a Data-Centric Review.AAPS J2017
27899674CDD/SPARCLE: functional classification of proteins via subfamily domain architectures.Nucleic Acids Res2017
26851083Improved prediction of drug-target interactions using regularized least squares integrating with kernel fusion technique.Anal Chim Acta2016
26400175PubChem Substance and Compound databases.Nucleic Acids Res2016
27872662Similar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring sets.J Cheminform2016
27293485Literature information in PubChem: associations between PubChem records and scientific articles.J Cheminform2016
27398098Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem.J Cheminform2016
26956874Structural insights of a PI3K/mTOR dual inhibitor with the morpholino-triazine scaffold.J Comput Aided Mol Des2016
25414356CDD: NCBI's conserved domain database.Nucleic Acids Res2015
26300985PubChem atom environments.J Cheminform2015
26583046Target enhanced 2D similarity search by using explicit biological activity annotations and profiles.J Cheminform2015
26150895PubChem structure-activity relationship (SAR) clusters.J Cheminform2015
25934803PUG-SOAP and PUG-REST: web services for programmatic access to chemical information in PubChem.Nucleic Acids Res2015
24198245PubChem BioAssay: 2014 update.Nucleic Acids Res2014
25168772PubChem applications in drug discovery: a bibliometric analysis.Drug Discov Today2014
24331047An efficient algorithm coupled with synthetic minority over-sampling technique to classify imbalanced PubChem BioAssay data.Anal Chim Acta2014
24319143MMDB and VAST+: tracking structural similarities between macromolecular complexes.Nucleic Acids Res2014
24460210Pathway analysis for drug repositioning based on public database mining.J Chem Inf Model2014
23289532PubChem3D: conformer ensemble accuracy.J Cheminform2013
24363665Web search and data mining of natural products and their bioactivities in PubChem.Sci China Chem2013
23496085Pharmacophore and 3D-QSAR characterization of 6-arylquinazolin-4-amines as Cdc2-like kinase 4 (Clk4) and dual specificity tyrosine-phosphorylation-regulated kinase 1A (Dyrk1A) inhibitors.J Chem Inf Model2013
23197659CDD: conserved domains and protein three-dimensional structure.Nucleic Acids Res2013
22198293Modulating protein-protein interactions with small molecules: the importance of binding hotspots.J Mol Biol2012
23745168Characterizing protein domain associations by Small-molecule ligand binding.J Proteome Sci Comput Biol2012
22942017FSelector: a Ruby gem for feature selection.Bioinformatics2012
23134593Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis.J Cheminform2012
22434827Annotation of functional sites with the Conserved Domain Database.Database (Oxford)2012
22281989Structure-based virtual screening for drug discovery: a problem-centric review.AAPS J2012
22303436Homology inference of protein-protein interactions via conserved binding sites.PLoS One2012
22321509Increasing peptide identifications and decreasing search times for ETD spectra by pre-processing and calculation of parent precursor charge.Proteome Sci2012
21989943Molecular Imaging and Contrast Agent Database (MICAD): evolution and progress.Mol Imaging Biol2012
22140110PubChem's BioAssay Database.Nucleic Acids Res2012
22140104Database resources of the National Center for Biotechnology Information.Nucleic Acids Res2012
22135289MMDB: 3D structures and macromolecular interactions.Nucleic Acids Res2012
22102591IBIS (Inferred Biomolecular Interaction Server) reports, predicts and integrates multiple types of conserved interactions for proteins.Nucleic Acids Res2012
21214224Binary classification of aqueous solubility using support vector machines with reduction and recombination feature selection.J Chem Inf Model2011
22107874Automated annotation of chemical names in the literature with tunable accuracy.J Cheminform2011
21781288PubChem3D: Biologically relevant 3-D similarity.J Cheminform2011
21834535Identifying compound-target associations by combining bioactivity profile similarity search and public databases mining.J Chem Inf Model2011
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Collaborators

Aron Marchler-Bauer
National Center for Biotechnology Information, National Institutes of Health
Co-authored papers 35
Evan E Bolton
National Center for Biotechnology Information, National Institutes of Health
Co-authored papers 24
Moore Benjamin Shoemaker
Vanderbilt University Medical Center
Co-authored papers 18
Tiejun Cheng
Co-authored papers 17
Paul A Thiessen
Co-authored papers 16
Shennan Lu
Co-authored papers 9
Kim D Pruitt
National Center for Biotechnology Information, National Institutes of Health
Co-authored papers 8
Donna R Maglott
National Center for Biotechnology Information, National Institutes of Health
Co-authored papers 8
Stephen T Sherry
National Center for Biotechnology Information, National Institutes of Health
Co-authored papers 8
Tanya Barrett
National Center for Biotechnology Information, National Institutes of Health
Co-authored papers 8
Michael DiCuccio
National Center for Biotechnology Information, National Institutes of Health
Co-authored papers 8
Deanna M Church
Present address: Inscripta Inc.
Co-authored papers 8
Alexandre Souvorov
Co-authored papers 7
Wolfgang Helmberg
Medical University of Graz
Co-authored papers 7
Yuri Kapustin
National Center for Biotechnology Information, National Institutes of Health
Co-authored papers 7
Narmada Thanki
Co-authored papers 6
Michael Feolo
University of Massachusetts Medical School
Co-authored papers 5
Ron Edgar
Co-authored papers 5
Manoj Tyagi
Co-authored papers 5
Ratna R Thangudu
Co-authored papers 5
Zhaoxi Ke
Beijing University of Chinese Medicine
Co-authored papers 4
Vahan Simonyan
Co-authored papers 4
Ilene Karsch-Mizrachi
Co-authored papers 4
Naigong Zhang
George Washington University
Co-authored papers 3
Douglas J Slotta
Co-authored papers 3
Zhiyong Lu
National Center for Biotechnology Information, National Institutes of Health.
Co-authored papers 3
W John Wilbur
National Center for Biotechnology Information, National Institutes of Health
Co-authored papers 3
Lynn M Schriml
University of Maryland School of Medicine, Institute for Genome Sciences
Co-authored papers 2
John L Spouge
Co-authored papers 2
Krzysztof Fidelis
University of California davis
Co-authored papers 2
Release 1.2