{"id":"https://openalex.org/W2105886766","doi":"https://doi.org/10.1093/bioinformatics/btn638","title":"NOE<i>net</i>\u2013Use of NOE networks for NMR resonance assignment of proteins with known 3D structure","display_name":"NOE<i>net</i>\u2013Use of NOE networks for NMR resonance assignment of proteins with known 3D structure","publication_year":2008,"publication_date":"2008-12-12","ids":{"openalex":"https://openalex.org/W2105886766","doi":"https://doi.org/10.1093/bioinformatics/btn638","mag":"2105886766","pmid":"https://pubmed.ncbi.nlm.nih.gov/19074506"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btn638","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btn638","pdf_url":null,"source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1093/bioinformatics/btn638","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5107718059","display_name":"Dirk Stratmann","orcid":"https://orcid.org/0000-0002-7373-0181"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I1298838906","display_name":"Institut de Chimie des Substances Naturelles","ror":"https://ror.org/02st4q439","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1298838906","https://openalex.org/I277688954"]},{"id":"https://openalex.org/I4210130154","display_name":"Laboratoire de Chimie","ror":"https://ror.org/02gaw1s20","country_code":"FR","type":"facility","lineage":["https://openalex.org/I100532134","https://openalex.org/I113428412","https://openalex.org/I1294671590","https://openalex.org/I203339264","https://openalex.org/I203339264","https://openalex.org/I4210130154"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Dirk Stratmann","raw_affiliation_strings":["Laboratoire de Chimie et Biologie Structurales, ICSN-CNRS, Gif-sur-Yvette, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratoire de Chimie et Biologie Structurales, ICSN-CNRS, Gif-sur-Yvette, France","institution_ids":["https://openalex.org/I4210130154","https://openalex.org/I1294671590","https://openalex.org/I1298838906"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003816215","display_name":"Carine van Heijenoort","orcid":"https://orcid.org/0000-0002-2839-1037"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I1298838906","display_name":"Institut de Chimie des Substances Naturelles","ror":"https://ror.org/02st4q439","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1298838906","https://openalex.org/I277688954"]},{"id":"https://openalex.org/I4210130154","display_name":"Laboratoire de Chimie","ror":"https://ror.org/02gaw1s20","country_code":"FR","type":"facility","lineage":["https://openalex.org/I100532134","https://openalex.org/I113428412","https://openalex.org/I1294671590","https://openalex.org/I203339264","https://openalex.org/I203339264","https://openalex.org/I4210130154"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Carine van Heijenoort","raw_affiliation_strings":["Laboratoire de Chimie et Biologie Structurales, ICSN-CNRS, Gif-sur-Yvette, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratoire de Chimie et Biologie Structurales, ICSN-CNRS, Gif-sur-Yvette, France","institution_ids":["https://openalex.org/I4210130154","https://openalex.org/I1294671590","https://openalex.org/I1298838906"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5081130053","display_name":"\u00c9ric Guittet","orcid":"https://orcid.org/0000-0002-8368-6719"},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I1298838906","display_name":"Institut de Chimie des Substances Naturelles","ror":"https://ror.org/02st4q439","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1298838906","https://openalex.org/I277688954"]},{"id":"https://openalex.org/I4210130154","display_name":"Laboratoire de Chimie","ror":"https://ror.org/02gaw1s20","country_code":"FR","type":"facility","lineage":["https://openalex.org/I100532134","https://openalex.org/I113428412","https://openalex.org/I1294671590","https://openalex.org/I203339264","https://openalex.org/I203339264","https://openalex.org/I4210130154"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Eric Guittet","raw_affiliation_strings":["Laboratoire de Chimie et Biologie Structurales, ICSN-CNRS, Gif-sur-Yvette, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratoire de Chimie et Biologie Structurales, ICSN-CNRS, Gif-sur-Yvette, France","institution_ids":["https://openalex.org/I4210130154","https://openalex.org/I1294671590","https://openalex.org/I1298838906"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5003816215","https://openalex.org/A5081130053"],"corresponding_institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I1298838906","https://openalex.org/I4210130154"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":{"value":3618,"currency":"USD","value_usd":3618},"fwci":1.3891,"has_fulltext":false,"cited_by_count":18,"citation_normalized_percentile":{"value":0.8057839,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":97},"biblio":{"volume":"25","issue":"4","first_page":"474","last_page":"481"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9629999995231628,"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":0.9629999995231628,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.017500000074505806,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.003599999938160181,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/correctness","display_name":"Correctness","score":0.7972462177276611},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6627662181854248},{"id":"https://openalex.org/keywords/matching","display_name":"Matching (statistics)","score":0.5307386517524719},{"id":"https://openalex.org/keywords/assignment-problem","display_name":"Assignment problem","score":0.5157778263092041},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.43005406856536865},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1887710690498352},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.1300520896911621}],"concepts":[{"id":"https://openalex.org/C55439883","wikidata":"https://www.wikidata.org/wiki/Q360812","display_name":"Correctness","level":2,"score":0.7972462177276611},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6627662181854248},{"id":"https://openalex.org/C165064840","wikidata":"https://www.wikidata.org/wiki/Q1321061","display_name":"Matching (statistics)","level":2,"score":0.5307386517524719},{"id":"https://openalex.org/C85044808","wikidata":"https://www.wikidata.org/wiki/Q620614","display_name":"Assignment problem","level":2,"score":0.5157778263092041},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.43005406856536865},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1887710690498352},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.1300520896911621},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","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":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"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},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1093/bioinformatics/btn638","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btn638","pdf_url":null,"source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:19074506","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/19074506","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":"Bioinformatics (Oxford, England)","raw_type":null},{"id":"pmh:oai:HAL:hal-00369172v1","is_oa":false,"landing_page_url":"https://hal.science/hal-00369172","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL (Le Centre pour la Communication Scientifique Directe)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1294671590","host_organization_name":"Centre National de la Recherche Scientifique","host_organization_lineage":["https://openalex.org/I1294671590"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Bioinformatics, 2009, 25 (4), pp.474-81. &#x27E8;10.1093/bioinformatics/btn638&#x27E9;","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:pubmedcentral.nih.gov:2642640","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2642640","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Bioinformatics","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/btn638","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btn638","pdf_url":null,"source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":31,"referenced_works":["https://openalex.org/W95002730","https://openalex.org/W1491642680","https://openalex.org/W1494878487","https://openalex.org/W1603416030","https://openalex.org/W1967230337","https://openalex.org/W1995685468","https://openalex.org/W2002195659","https://openalex.org/W2008745123","https://openalex.org/W2026027605","https://openalex.org/W2045662357","https://openalex.org/W2073060468","https://openalex.org/W2075183488","https://openalex.org/W2076899726","https://openalex.org/W2081281861","https://openalex.org/W2096724056","https://openalex.org/W2135307619","https://openalex.org/W2142026881","https://openalex.org/W2151542228","https://openalex.org/W2153970368","https://openalex.org/W2154821473","https://openalex.org/W2159907697","https://openalex.org/W2164941251","https://openalex.org/W2167519957","https://openalex.org/W2171436454","https://openalex.org/W2319226565","https://openalex.org/W2337098149","https://openalex.org/W2426452510","https://openalex.org/W2610652256","https://openalex.org/W2949250147","https://openalex.org/W6650966526","https://openalex.org/W6684473580"],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W3008339103","https://openalex.org/W2404647514","https://openalex.org/W1667647204","https://openalex.org/W4247536566","https://openalex.org/W3119814709","https://openalex.org/W2018477250","https://openalex.org/W1508895727","https://openalex.org/W4241418540","https://openalex.org/W2725786787"],"abstract_inverted_index":{"MOTIVATION:":[0],"A":[1],"prerequisite":[2],"for":[3,210,230],"any":[4],"protein":[5,26,147,218],"study":[6],"by":[7,33,47],"NMR":[8,37],"is":[9,31],"the":[10,13,16,25,44,54,63,70,75,106,109,114,131,135,231],"assignment":[11,30,41,72,84,110,174,180,192,197,235],"of":[12,24,53,108,117,126,130,148,158,182],"resonances":[14],"from":[15,200],"(15)N-(1)H":[17],"HSQC":[18],"spectrum":[19],"to":[20,61,87,121,188,207],"their":[21],"corresponding":[22],"atoms":[23],"backbone.":[27],"Usually,":[28],"this":[29],"obtained":[32,199],"analyzing":[34],"triple":[35],"resonance":[36,234],"experiments.":[38],"An":[39],"alternative":[40],"strategy":[42,73,236],"exploits":[43,113],"information":[45],"given":[46],"an":[48,99,123,173],"already":[49],"available":[50,245],"3D":[51],"structure":[52],"same":[55],"or":[56,217],"a":[57,82,93,145,189,227],"homologous":[58],"protein.":[59],"Up":[60],"now,":[62],"algorithms":[64],"that":[65,78,104,168,178,196,223],"have":[66,74],"been":[67,140],"developed":[68],"around":[69],"structure-based":[71,232],"important":[76],"drawbacks":[77],"they":[79],"cannot":[80],"guarantee":[81],"high":[83],"accuracy":[85],"near":[86],"100%.":[88],"RESULTS:":[89],"We":[90,176,221],"propose":[91],"here":[92],"new":[94],"program,":[95],"called":[96],"NOEnet,":[97],"implementing":[98],"efficient":[100],"complete":[101,156],"search":[102,125,157],"algorithm":[103],"ensures":[105],"correctness":[107],"results.":[111],"NOEnet":[112,138,159,224,241],"network":[115,133],"character":[116],"unambiguous":[118],"NOE":[119,132,153,184],"constraints":[120],"realize":[122],"exhaustive":[124],"all":[127,161],"matching":[128],"possibilities":[129,181],"onto":[134],"structural":[136],"one.":[137],"has":[139],"successfully":[141],"tested":[142],"on":[143],"EIN,":[144],"large":[146,183],"28":[149],"kDa,":[150],"using":[151],"only":[152],"data.":[154],"The":[155,240],"finds":[160],"possible":[162],"assignments":[163],"compatible":[164],"with":[165],"experimental":[166,202],"data":[167],"can":[169,225],"be":[170,208,244],"defined":[171],"as":[172],"ensemble.":[175],"show":[177],"multiple":[179],"networks":[185],"are":[186,204],"restricted":[187],"small":[190],"spatial":[191],"range":[193],"(SAR),":[194],"so":[195],"ensembles,":[198],"accessible":[201],"data,":[203],"precise":[205],"enough":[206],"used":[209],"functional":[211],"proteins":[212],"studies,":[213],"like":[214],"protein-ligand":[215],"interaction":[216],"dynamics":[219],"studies.":[220],"believe":[222],"become":[226],"major":[228],"tool":[229],"backbone":[233],"in":[237],"NMR.":[238],"AVAILABILITY:":[239],"program":[242],"will":[243],"under:":[246],"http://www.icsn.cnrs-gif.fr/download/nmr.":[247]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2012,"cited_by_count":3}],"updated_date":"2026-07-10T07:45:09.275182","created_date":"2016-06-24T00:00:00"}