Research Topics
| Stephen H BryantSummaryAffiliation: National Institutes of Health Country: USA Publications
| Collaborators
|
Detail Information
Publications
Increasing peptide identifications and decreasing search times for ETD spectra by pre-processing and calculation of parent precursor chargeViswanadham Sridhara
National Library of Medicine, NIH, Bethesda, Maryland, USA
Proteome Sci 10:8. 2012..abstract:..
Automated annotation of chemical names in the literature with tunable accuracyJun D Zhang
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, 8600 Rockville Pike, Bethesda, MD 20894, USA
J Cheminform 3:52. 2011..abstract:..
PubChem3D: a new resource for scientistsEvan E Bolton
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, 8600 Rockville Pike, Bethesda, MD 20894, USA
J Cheminform 3:32. 2011..abstract:..
Structure-based virtual screening for drug discovery: a problem-centric reviewTiejun Cheng
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, Maryland 20894, USA
AAPS J 14:133-41. 2012....
PubChem3D: Biologically relevant 3-D similaritySunghwan Kim
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, 8600 Rockville Pike, Bethesda, MD 20894, USA
J Cheminform 3:26. 2011..abstract:..
PubChem3D: Diversity of shapeEvan E Bolton
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, 8600 Rockville Pike, Bethesda MD 20894, USA
J Cheminform 3:9. 2011..abstract:..
PubChem3D: Shape compatibility filtering using molecular shape quadrupolesSunghwan Kim
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, 8600 Rockville Pike, Bethesda, MD 20894, USA
J Cheminform 3:25. 2011..abstract:..
PubChem3D: Similar conformersEvan E Bolton
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, 8600 Rockville Pike, Bethesda, MD 20894, USA
J Cheminform 3:13. 2011..abstract:..
PubChem3D: Conformer generationEvan E Bolton
National Center for Biotechnology Information National Library of Medicine National Institutes of Health Department of Health and Human Services 8600 Rockville Pike, Bethesda, MD 20894, USA
J Cheminform 3:4. 2011..abstract:..
The PubChem chemical structure sketcherWolf D Ihlenfeldt
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, 8600 Rockville Pike, Bethesda, MD 20894, USA
J Cheminform 1:20. 2009..It is completely platform-independent and verified to work on all major Web browsers, including older ones without support for Web2.0 JavaScript objects...
Improving protein structure similarity searches using domain boundaries based on conserved sequence informationKenneth Evan Thompson
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD, USA
BMC Struct Biol 9:33. 2009....
Protein homologous cores and loops: important clues to evolutionary relationships between structurally similar proteinsThomas Madej
Computational Biology Branch, National Center for Biotechnology Information, National Institutes of Health, Bethesda, Maryland 20894, USA
BMC Struct Biol 7:23. 2007..Along with these we also consider the "gapped structural alignment score" (GSAS), which was introduced earlier by other researchers...
The Text-mining based PubChem Bioassay neighboring analysisLianyi Han
National Center for Biotechnology Information, US National Library of Medicine, 8600 Rockville Pike, Bethesda, MD 20894, USA
BMC Bioinformatics 11:549. 2010..In this work, we propose a text-mining based approach for bioassay neighboring analysis from the unstructured text descriptions contained in the PubChem BioAssay database...
State of the art: refinement of multiple sequence alignmentsSaikat Chakrabarti
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA
BMC Bioinformatics 7:499. 2006..Refinement of existing alignment can prove to be an intelligent choice considering the increasing importance of high quality alignments in large scale high-throughput analysis...
Knowledge-based annotation of small molecule binding sites in proteinsRatna R Thangudu
National Center for Biotechnology Information, 8600 Rockville Pike, Building 38A, Bethesda, MD 20894, USA
BMC Bioinformatics 11:365. 2010..To benefit from the rapidly increasing structural data, it is essential to improve the tools that enable large scale binding site prediction with greater emphasis on their biological validity...
Developing and validating predictive decision tree models from mining chemical structural fingerprints and high-throughput screening data in PubChemLianyi Han
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA
BMC Bioinformatics 9:401. 2008..Computational approaches for the analysis of HTS results face great challenges due to the large quantity of information and significant amounts of erroneous data produced...
Inferred Biomolecular Interaction Server--a web server to analyze and predict protein interacting partners and binding sitesBenjamin A Shoemaker
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA
Nucleic Acids Res 38:D518-24. 2010..IBIS is updated regularly and is freely accessible via http://www.ncbi.nlm.nih.gov/Structure/ibis/ibis.html...
MMDB: Entrez's 3D-structure databaseYanli Wang
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA
Nucleic Acids Res 30:249-52. 2002..MMDB may be accessed at http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=Structure...
The identification of complete domains within protein sequences using accurate E-values for semi-global alignmentMaricel G Kann
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, Bethesda, MD 20894, USA
Nucleic Acids Res 35:4678-85. 2007..When searching for complete protein domains, therefore, GLOBAL avoids disadvantages commonly associated with HMMs, yet maintains their superior retrieval performance...
Database resources of the National Center for Biotechnology InformationDavid L Wheeler
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Building 38A, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 36:D13-21. 2008..Augmenting the web applications are custom implementations of the BLAST program optimized to search specialized data sets. These resources can be accessed through the NCBI home page at www.ncbi.nlm.nih.gov...
An overview of the PubChem BioAssay resourceYanli Wang
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA
Nucleic Acids Res 38:D255-66. 2010..In this work, we describe the PubChem BioAssay database, including data model, bioassay deposition and utilities that PubChem provides for searching, downloading and analyzing the biological activity information contained therein...
A comparison of position-specific score matrices based on sequence and structure alignmentsAnna R Panchenko
Computational Biology Branch, National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, Maryland 20894, USA
Protein Sci 11:361-70. 2002..We discuss these observations, and suggest a strategy for constructing seed alignments that optimize PSSM-sequence alignment accuracy and recognition sensitivity...
Exploring functional roles of multibinding protein interfacesManoj Tyagi
Computational Biology Branch, National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, Maryland 20894, USA
Protein Sci 18:1674-83. 2009....
Computational analysis of the cathepsin B inhibitors activities through LR-MMPBSA binding affinity calculation based on docked complexZhigang Zhou
National Center for Biotechnology Information, National Library of Medicine, National Institute of Health, Bethesda, Maryland 20894, USA
J Comput Chem 30:2165-75. 2009..Our results also show that the results based on protein dimer show better correlations with experimental activity when compared to results based on monomer in the in silico calculations...
MMDB: Entrez's 3D-structure databaseJie Chen
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA
Nucleic Acids Res 31:474-7. 2003..MMDB is available at: http://www.ncbi.nlm.nih.gov/Entrez/structure.html...
MMDB: annotating protein sequences with Entrez's 3D-structure databaseYanli Wang
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA
Nucleic Acids Res 35:D298-300. 2007..The 'Related Structure' service summarizes this information and presents 3D views mapping sequence residues onto all 3D structures available in MMDB (http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?db=structure)...
Comparison of sequence and structure alignments for protein domainsAron Marchler-Bauer
Computational Biology Branch, National Center for Biotechnology Information, National Institutes of Health, Bethesda, Maryland 20894, USA
Proteins 48:439-46. 2002..These observations suggest that structure comparison results might be used to improve the overall accuracy of domain alignment collections and the performance of profile search methods based on them...
A structure-based method for protein sequence alignmentMaricel G Kann
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Department of Health and Human Services, Bethesda, MD 20894, USA
Bioinformatics 21:1451-6. 2005..ncbi.nih.gov/pub/SALTO/), and has been incorporated to Cn3D structure/alignment viewer. CONTACT: ...
Database resources of the National Center for Biotechnology InformationDavid L Wheeler
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Building 38A, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 34:D173-80. 2006..Augmenting many of the Web applications are custom implementations of the BLAST program optimized to search specialized datasets. All of the resources can be accessed through the NCBI home page at: http://www.ncbi.nlm.nih.gov...
Database resources of the National Center for Biotechnology InformationEric W Sayers
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Building 38A, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 39:D38-51. 2011..Augmenting many of the Web applications are custom implementations of the BLAST program optimized to search specialized data sets. All of these resources can be accessed through the NCBI home page at www.ncbi.nlm.nih.gov...
CDD: a Conserved Domain Database for the functional annotation of proteinsAron Marchler-Bauer
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bldg 38 A, Room 8N805, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 39:D225-9. 2011..CDD can be accessed via http://www.ncbi.nlm.nih.gov/Structure/cdd/cdd.shtml...
Database resources of the National Center for Biotechnology InformationDavid L Wheeler
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Building 38A, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 33:D39-45. 2005..Augmenting many of the Web applications are custom implementations of the BLAST program optimized to search specialized datasets. All of the resources can be accessed through the NCBI home page at http://www.ncbi.nlm.nih.gov...
CDD: a Conserved Domain Database for protein classificationAron Marchler-Bauer
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Building 38 A, Room 8N805, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 33:D192-6. 2005..Here, we report on the progress of the curation effort and associated improvements in the functionality of the CDD information retrieval system...
Functional specificity lies within the properties and evolutionary changes of amino acidsSaikat Chakrabarti
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA
J Mol Biol 373:801-10. 2007..Extensive benchmarking by comparing the performance of SPEER with other specificity site prediction algorithms has shown that it performs better in predicting several categories of subfamily specific sites...
CDD: specific functional annotation with the Conserved Domain DatabaseAron Marchler-Bauer
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bldg 38 A, Room 8N805, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 37:D205-10. 2009....
Open mass spectrometry search algorithmLewis Y Geer
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, Maryland 20894, USA
J Proteome Res 3:958-64. 2004..At default thresholds, OMSSA matches more spectra from a standard protein cocktail than a comparable algorithm. OMSSA is designed to be faster than published algorithms in searching large MS/MS datasets...
CD-Search: protein domain annotations on the flyAron Marchler-Bauer
Computational Biology Branch, NCBI, National Library of Medicine, NIH, Building 38A, Room 5S508, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 32:W327-31. 2004..CD-Search can be accessed at http://www.ncbi.nlm.nih.gov/Structure/cdd/wrpsb.cgi...
CDD: a curated Entrez database of conserved domain alignmentsAron Marchler-Bauer
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Building 38A, Room 8N805, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 31:383-7. 2003..This alignment model allows NCBI curators to annotate 'columns' corresponding to functional sites conserved among family members...
CDART: protein homology by domain architectureLewis Y Geer
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, Maryland 20894, USA
Genome Res 12:1619-23. 2002..Searches can be further refined by taxonomy and by selecting domains of interest. CDART is available at http://www.ncbi.nlm.nih.gov/Structure/lexington/lexington.cgi...
Finding biologically relevant protein domain interactions: conserved binding mode analysisBenjamin A Shoemaker
Computational Biology Branch, National Center for Biotechnology Information, Building 38A, National Institutes of Health, Bethesda, MD 20894, USA
Protein Sci 15:352-61. 2006..The method's ability to sort through and classify large numbers of putative interacting domain pairs is demonstrated on the oligomeric interactions of globins...
QSAR models for predicting cathepsin B inhibition by small molecules--continuous and binary QSAR models to classify cathepsin B inhibition activities of small moleculesZhigang Zhou
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA
J Mol Graph Model 28:714-27. 2010....
Database resources of the National Center for Biotechnology InformationEric W Sayers
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Building 38A, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 37:D5-15. 2009..Augmenting many of the web applications is custom implementation of the BLAST program optimized to search specialized data sets. All of the resources can be accessed through the NCBI home page at www.ncbi.nlm.nih.gov...
Database resources of the National Center for Biotechnology InformationDavid L Wheeler
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Building 38A, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 35:D5-12. 2007..Augmenting many of the Web applications are custom implementations of the BLAST program optimized to search specialized data sets. These resources can be accessed through the NCBI home page at www.ncbi.nlm.nih.gov...
Modeling the evolution of protein domain architectures using maximum parsimonyJessica H Fong
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, 8600 Rockville Pike, Bethesda, MD 20894, USA
J Mol Biol 366:307-15. 2007..Domain architecture "neighbors" identified in this way may lead to new insights about the evolution of protein function...
CDD: a conserved domain database for interactive domain family analysisAron Marchler-Bauer
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health Building 38 A, Room 8N805, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 35:D237-40. 2007..More importantly, CDD and CDTree used in concert, serve as a powerful tool in protein classification, as they allow users to analyze protein sequences in the context of domain family hierarchies...
A novel method for mining highly imbalanced high-throughput screening data in PubChemQingliang Li
National Center for Biotechnology Information, National Institutes of Health, Bethesda, MD 20894, USA
Bioinformatics 25:3310-6. 2009....
The NCBI BioSystems databaseLewis Y Geer
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bldg 38A, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 38:D492-6. 2010....
Database resources of the National Center for Biotechnology InformationEric W Sayers
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Building 38A, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 38:D5-16. 2010..Augmenting many of the web applications are custom implementations of the BLAST program optimized to search specialized data sets. All these resources can be accessed through the NCBI home page at www.ncbi.nlm.nih.gov...
Refining multiple sequence alignments with conserved core regionsSaikat Chakrabarti
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA
Nucleic Acids Res 34:2598-606. 2006..A standalone version of the program is available by ftp distribution (ftp://ftp.ncbi.nih.gov/pub/REFINER) and will be incorporated into the next release of the Cn3D structure/alignment viewer...
State of the art: refinement of multiple sequence alignmentsSaikat Chakrabarti
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA
BMC Bioinformatics 11:3. 2010..ABSTRACT: Correction to Chakrabarti S, Lanczycki CJ, Panchenko AR, Przytycka TM, Thiessen PA and Bryant SH: State of the art: refinement of multiple sequence alignments. BMC Bioinformatics 2006, 7:499...
CDD: a database of conserved domain alignments with links to domain three-dimensional structureAron Marchler-Bauer
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Building 38 A, Room 8N805, 8600 Rockville Pike, Bethesda, MD 20894, USA
Nucleic Acids Res 30:281-3. 2002..CD-Search runs reverse-position-specific BLAST (RPS-BLAST), a variant of the widely used PSI-BLAST algorithm. CD-Search is run by default for protein-protein queries submitted to NCBI's BLAST service at http://www.ncbi.nlm.nih.gov/BLAST...
PubChem: a public information system for analyzing bioactivities of small moleculesYanli Wang
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, Bethesda, MD 20894, USA
Nucleic Acids Res 37:W623-33. 2009..Most of the tools described in this work can be directly accessed at http://pubchem.ncbi.nlm.nih.gov/assay/. URLs for accessing other tools described in this work are specified individually...
Functional states of homooligomers: insights from the evolution of glycosyltransferasesKosuke Hashimoto
National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, 8600 Rockville Pike, Building 38A 8S814, Bethesda, MD 20894, USA
J Mol Biol 399:196-206. 2010....
A survey of across-target bioactivity results of small molecules in PubChemLianyi Han
National Center for Biotechnology Information, National Institutes of Health, Bethesda, MD 20894, USA
Bioinformatics 25:2251-5. 2009..This work enables one to select target specific inhibitors, identify promiscuous compounds and better understand the biological mechanisms of target-small molecule interactions...
Outcome of a workshop on archiving structural models of biological macromoleculesHelen M Berman
The Research Collaboratory for Structural Bioinformatics Protein Data Bank, Rutgers, The State University of New Jersey, Piscataway, New Jersey 08854, USA
Structure 14:1211-7. 2006
