{"id":"https://openalex.org/W2145664842","doi":"https://doi.org/10.1186/1471-2105-13-s3-s4","title":"Combining automated peak tracking in SAR by NMR with structure-based backbone assignment from 15N-NOESY","display_name":"Combining automated peak tracking in SAR by NMR with structure-based backbone assignment from 15N-NOESY","publication_year":2012,"publication_date":"2012-03-21","ids":{"openalex":"https://openalex.org/W2145664842","doi":"https://doi.org/10.1186/1471-2105-13-s3-s4","mag":"2145664842","pmid":"https://pubmed.ncbi.nlm.nih.gov/22536902"},"language":"en","primary_location":{"id":"doi:10.1186/1471-2105-13-s3-s4","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1471-2105-13-s3-s4","pdf_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/1471-2105-13-S3-S4","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/1471-2105-13-S3-S4","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5067851226","display_name":"Richard Jang","orcid":null},"institutions":[{"id":"https://openalex.org/I151746483","display_name":"University of Waterloo","ror":"https://ror.org/01aff2v68","country_code":"CA","type":"education","lineage":["https://openalex.org/I151746483"]}],"countries":["CA"],"is_corresponding":true,"raw_author_name":"Richard Jang","raw_affiliation_strings":["David R Cheriton School of Computer Science, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada","David R. Cheriton School of Computer Science, University of Waterloo, Waterloo, Canada"],"affiliations":[{"raw_affiliation_string":"David R Cheriton School of Computer Science, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada","institution_ids":["https://openalex.org/I151746483"]},{"raw_affiliation_string":"David R. Cheriton School of Computer Science, University of Waterloo, Waterloo, Canada","institution_ids":["https://openalex.org/I151746483"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100618900","display_name":"Xin Gao","orcid":"https://orcid.org/0000-0002-7108-3574"},"institutions":[{"id":"https://openalex.org/I71920554","display_name":"King Abdullah University of Science and Technology","ror":"https://ror.org/01q3tbs38","country_code":"SA","type":"education","lineage":["https://openalex.org/I71920554"]},{"id":"https://openalex.org/I151746483","display_name":"University of Waterloo","ror":"https://ror.org/01aff2v68","country_code":"CA","type":"education","lineage":["https://openalex.org/I151746483"]}],"countries":["CA","SA"],"is_corresponding":false,"raw_author_name":"Xin Gao","raw_affiliation_strings":["School of Computer Science, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada","Division of Mathematical and Computer Sciences and Engineering, King Abdullah University of Science and Technology, Thuwal, Saudi Arabia#TAB#"],"affiliations":[{"raw_affiliation_string":"School of Computer Science, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada","institution_ids":["https://openalex.org/I151746483"]},{"raw_affiliation_string":"Division of Mathematical and Computer Sciences and Engineering, King Abdullah University of Science and Technology, Thuwal, Saudi Arabia#TAB#","institution_ids":["https://openalex.org/I71920554"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5108086353","display_name":"Ming Li","orcid":"https://orcid.org/0000-0003-1842-0356"},"institutions":[{"id":"https://openalex.org/I151746483","display_name":"University of Waterloo","ror":"https://ror.org/01aff2v68","country_code":"CA","type":"education","lineage":["https://openalex.org/I151746483"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Ming Li","raw_affiliation_strings":["School of Computer Science, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada","David R. Cheriton School of Computer Science, University of Waterloo, Waterloo, Canada"],"affiliations":[{"raw_affiliation_string":"School of Computer Science, University of Waterloo, Waterloo, Ontario, N2L 3G1, Canada","institution_ids":["https://openalex.org/I151746483"]},{"raw_affiliation_string":"David R. Cheriton School of Computer Science, University of Waterloo, Waterloo, Canada","institution_ids":["https://openalex.org/I151746483"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5067851226"],"corresponding_institution_ids":["https://openalex.org/I151746483"],"apc_list":{"value":1690,"currency":"GBP","value_usd":2072},"apc_paid":{"value":1690,"currency":"GBP","value_usd":2072},"fwci":1.0757,"has_fulltext":true,"cited_by_count":17,"citation_normalized_percentile":{"value":0.76634671,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"13","issue":"S3","first_page":"S4","last_page":"S4"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9994000196456909,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9994000196456909,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.9976999759674072,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9958000183105469,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/two-dimensional-nuclear-magnetic-resonance-spectroscopy","display_name":"Two-dimensional nuclear magnetic resonance spectroscopy","score":0.5208959579467773},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.4914816617965698},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.42557889223098755},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.42099079489707947},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.40421274304389954},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.3667261600494385},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.10650023818016052},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.10108068585395813}],"concepts":[{"id":"https://openalex.org/C19549132","wikidata":"https://www.wikidata.org/wiki/Q11141463","display_name":"Two-dimensional nuclear magnetic resonance spectroscopy","level":2,"score":0.5208959579467773},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.4914816617965698},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.42557889223098755},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.42099079489707947},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.40421274304389954},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3667261600494385},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.10650023818016052},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.10108068585395813},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001419","descriptor_name":"Bacteria","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001419","descriptor_name":"Bacteria","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001419","descriptor_name":"Bacteria","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010944","descriptor_name":"Plants","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010944","descriptor_name":"Plants","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010944","descriptor_name":"Plants","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019906","descriptor_name":"Nuclear Magnetic Resonance, Biomolecular","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019906","descriptor_name":"Nuclear Magnetic Resonance, Biomolecular","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019906","descriptor_name":"Nuclear Magnetic Resonance, Biomolecular","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":5,"locations":[{"id":"doi:10.1186/1471-2105-13-s3-s4","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1471-2105-13-s3-s4","pdf_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/1471-2105-13-S3-S4","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},{"id":"pmid:22536902","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/22536902","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC bioinformatics","raw_type":null},{"id":"pmh:oai:doaj.org/article:e3a08dcedd74410eb0780f6a6bd40dc7","is_oa":true,"landing_page_url":"https://doaj.org/article/e3a08dcedd74410eb0780f6a6bd40dc7","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"BMC Bioinformatics, Vol 13, Iss Suppl 3, p S4 (2012)","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:3402924","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3402924","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"BMC Bioinformatics","raw_type":"Text"},{"id":"pmh:oai:repository.kaust.edu.sa:10754/325471","is_oa":true,"landing_page_url":"http://hdl.handle.net/10754/325471","pdf_url":null,"source":{"id":"https://openalex.org/S4306401596","display_name":"King Abdullah University of Science and Technology Repository (King Abdullah University of Science and Technology)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I71920554","host_organization_name":"King Abdullah University of Science and Technology","host_organization_lineage":["https://openalex.org/I71920554"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Article"}],"best_oa_location":{"id":"doi:10.1186/1471-2105-13-s3-s4","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1471-2105-13-s3-s4","pdf_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/1471-2105-13-S3-S4","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.5799999833106995,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"awards":[{"id":"https://openalex.org/G2165548363","display_name":null,"funder_award_id":"Canada","funder_id":"https://openalex.org/F4320334593","funder_display_name":"Natural Sciences and Engineering Research Council of Canada"},{"id":"https://openalex.org/G3969759488","display_name":null,"funder_award_id":"program","funder_id":"https://openalex.org/F4320322675","funder_display_name":"Mitacs"},{"id":"https://openalex.org/G5784215521","display_name":null,"funder_award_id":"Chair","funder_id":"https://openalex.org/F4320334593","funder_display_name":"Natural Sciences and Engineering Research Council of Canada"},{"id":"https://openalex.org/G8010854450","display_name":null,"funder_award_id":"OGP0046506","funder_id":"https://openalex.org/F4320334593","funder_display_name":"Natural Sciences and Engineering Research Council of Canada"}],"funders":[{"id":"https://openalex.org/F4320322675","display_name":"Mitacs","ror":"https://ror.org/00cjrc276"},{"id":"https://openalex.org/F4320334593","display_name":"Natural Sciences and Engineering Research Council of Canada","ror":"https://ror.org/01h531d29"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2145664842.pdf","grobid_xml":"https://content.openalex.org/works/W2145664842.grobid-xml"},"referenced_works_count":37,"referenced_works":["https://openalex.org/W1885159080","https://openalex.org/W1967230337","https://openalex.org/W1972091733","https://openalex.org/W1980325007","https://openalex.org/W1981159786","https://openalex.org/W1985335558","https://openalex.org/W1988229914","https://openalex.org/W1994118705","https://openalex.org/W2003589493","https://openalex.org/W2034575741","https://openalex.org/W2037959733","https://openalex.org/W2038963639","https://openalex.org/W2046258407","https://openalex.org/W2046986600","https://openalex.org/W2051834970","https://openalex.org/W2071016718","https://openalex.org/W2073574973","https://openalex.org/W2084273798","https://openalex.org/W2094022774","https://openalex.org/W2102312699","https://openalex.org/W2115339329","https://openalex.org/W2118200955","https://openalex.org/W2126677834","https://openalex.org/W2130479394","https://openalex.org/W2132186599","https://openalex.org/W2136545666","https://openalex.org/W2152301430","https://openalex.org/W2152326664","https://openalex.org/W2157566126","https://openalex.org/W2159907697","https://openalex.org/W2170789520","https://openalex.org/W2171249995","https://openalex.org/W2222512263","https://openalex.org/W2319226565","https://openalex.org/W2405686381","https://openalex.org/W2610652256","https://openalex.org/W3022346964"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W2078814861","https://openalex.org/W2527526854","https://openalex.org/W2062208111","https://openalex.org/W1976181487","https://openalex.org/W1986764834"],"abstract_inverted_index":{"Our":[0],"mathematical":[1],"programming":[2],"approach":[3],"for":[4,26],"modeling":[5,14],"chemical":[6],"shift":[7],"mapping":[8],"as":[9],"a":[10,20],"graph":[11],"problem,":[12],"while":[13],"the":[15],"errors":[16],"directly,":[17],"is":[18],"potentially":[19],"time-":[21],"and":[22,35],"cost-effective":[23],"first":[24],"step":[25],"high-throughput":[27],"drug":[28],"screening":[29],"based":[30],"on":[31],"limited":[32],"NMR":[33],"data":[34],"homologous":[36],"3D":[37],"structures.":[38]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":2}],"updated_date":"2026-04-13T07:58:08.660418","created_date":"2025-10-10T00:00:00"}
