{"id":"https://openalex.org/W2044423538","doi":"https://doi.org/10.1145/2147805.2147814","title":"Combining ambiguous chemical shift mapping with structure-based backbone and NOE assignment from <sup>15</sup> N-NOESY","display_name":"Combining ambiguous chemical shift mapping with structure-based backbone and NOE assignment from <sup>15</sup> N-NOESY","publication_year":2011,"publication_date":"2011-08-01","ids":{"openalex":"https://openalex.org/W2044423538","doi":"https://doi.org/10.1145/2147805.2147814","mag":"2044423538"},"language":"en","primary_location":{"id":"doi:10.1145/2147805.2147814","is_oa":false,"landing_page_url":"https://doi.org/10.1145/2147805.2147814","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 2nd ACM Conference on Bioinformatics, Computational Biology and Biomedicine","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"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":["University of Waterloo, Waterloo, Ontario, Canada","University of Waterloo, Waterloo, Ontario, CANADA"],"affiliations":[{"raw_affiliation_string":"University of Waterloo, Waterloo, Ontario, Canada","institution_ids":["https://openalex.org/I151746483"]},{"raw_affiliation_string":"University of Waterloo, Waterloo, Ontario, 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"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Xin Gao","raw_affiliation_strings":["Abdullah University of Science and Technology, Thuwal, KSA"],"affiliations":[{"raw_affiliation_string":"Abdullah University of Science and Technology, Thuwal, KSA","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":["University of Waterloo, Waterloo, Ontario, Canada","University of Waterloo, Waterloo, Ontario, CANADA"],"affiliations":[{"raw_affiliation_string":"University of Waterloo, Waterloo, Ontario, Canada","institution_ids":["https://openalex.org/I151746483"]},{"raw_affiliation_string":"University of Waterloo, Waterloo, Ontario, 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":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.09316554,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"76","last_page":"86"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9998000264167786,"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":0.9998000264167786,"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/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9983000159263611,"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/T11162","display_name":"Enzyme Structure and Function","score":0.9976000189781189,"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/two-dimensional-nuclear-magnetic-resonance-spectroscopy","display_name":"Two-dimensional nuclear magnetic resonance spectroscopy","score":0.5635215044021606},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.49979281425476074},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.4049217104911804},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.39418911933898926},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.3890463709831238},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.1263158619403839}],"concepts":[{"id":"https://openalex.org/C19549132","wikidata":"https://www.wikidata.org/wiki/Q11141463","display_name":"Two-dimensional nuclear magnetic resonance spectroscopy","level":2,"score":0.5635215044021606},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.49979281425476074},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.4049217104911804},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.39418911933898926},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3890463709831238},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.1263158619403839},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1145/2147805.2147814","is_oa":false,"landing_page_url":"https://doi.org/10.1145/2147805.2147814","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 2nd ACM Conference on Bioinformatics, Computational Biology and Biomedicine","raw_type":"proceedings-article"},{"id":"pmh:oai:repository.kaust.edu.sa:10754/564350","is_oa":false,"landing_page_url":"http://hdl.handle.net/10754/564350","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Conference Paper"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.699999988079071,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"awards":[{"id":"https://openalex.org/G2958579158","display_name":null,"funder_award_id":"2008AA02Z313","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"},{"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/F4320321540","display_name":"Ministry of Science and Technology of the People's Republic of China","ror":"https://ror.org/027s68j25"},{"id":"https://openalex.org/F4320334593","display_name":"Natural Sciences and Engineering Research Council of Canada","ror":"https://ror.org/01h531d29"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":36,"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/W2051834970","https://openalex.org/W2071016718","https://openalex.org/W2073574973","https://openalex.org/W2084273798","https://openalex.org/W2094022774","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/W2140118874","https://openalex.org/W2152301430","https://openalex.org/W2152326664","https://openalex.org/W2157566126","https://openalex.org/W2159907697","https://openalex.org/W2170789520","https://openalex.org/W2222512263","https://openalex.org/W2319226565","https://openalex.org/W2405686381","https://openalex.org/W2610652256","https://openalex.org/W3022346964","https://openalex.org/W4229743141"],"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/W4391375266","https://openalex.org/W2078814861","https://openalex.org/W2527526854","https://openalex.org/W1976181487","https://openalex.org/W1986764834"],"abstract_inverted_index":{"Chemical":[0],"shift":[1],"mapping":[2,39,86,125],"is":[3,35,88,126],"an":[4,171,229],"important":[5],"technique":[6],"in":[7,30,59,117],"NMRbased":[8],"drug":[9,24,139],"screening":[10],"for":[11,92,137,149,219],"identifying":[12],"the":[13,27,47,51,60,64,118,124,154,162,217,224],"atoms":[14],"of":[15,40,50,63,70,174,232],"a":[16,23,38,68,76,84,144,194,220],"target":[17,61,82,184],"protein":[18,53],"that":[19,152,204],"potentially":[20],"bind":[21],"to":[22,36,54,74,81,96,121,215],"molecule":[25],"upon":[26],"molecule's":[28],"introduction":[29],"increasing":[31],"concentrations.":[32],"The":[33],"goal":[34],"obtain":[37],"peaks":[41,55,80,111,116],"with":[42,56,114,177],"known":[43],"residue":[44],"assignment":[45,58,202],"from":[46,78],"reference":[48,79],"spectrum":[49,62],"unbound":[52],"unknown":[57],"bound":[65],"protein.":[66],"Although":[67],"series":[69],"perturbed":[71],"spectra":[72],"help":[73],"trace":[75],"path":[77],"peaks,":[83,101,103],"one-to-one":[85],"generally":[87],"not":[89,112],"possible,":[90],"especially":[91],"large":[93],"proteins,":[94,226],"due":[95],"errors,":[97],"such":[98],"as":[99,189],"noise":[100],"missing":[102,104],"but":[105],"then":[106],"reappearing,":[107],"overlapped,":[108],"and":[109,157,166,200,212],"new":[110],"associated":[113],"any":[115],"reference.":[119],"Due":[120],"these":[122,187],"difficulties,":[123],"typically":[127],"done":[128],"manually":[129],"or":[130,234],"semi-automatically.":[131],"However,":[132],"automated":[133],"methods":[134],"are":[135],"necessary":[136],"high-throughput":[138],"screening.":[140],"We":[141],"present":[142,192],"PeakWalker,":[143],"novel":[145,195],"peak":[146],"walking":[147],"algorithm":[148,203],"fast-exchange":[150],"systems":[151],"models":[153],"errors":[155],"explicitly":[156],"performs":[158],"many-to-one":[159],"mapping.":[160,222],"On":[161,223],"proteins:":[163],"hBclXL,":[164],"UbcH5B,":[165],"histone":[167],"H1,":[168],"it":[169,227],"achieves":[170,228],"average":[172,230],"accuracy":[173,231],"over":[175],"95%":[176],"less":[178],"than":[179],"1.5":[180],"residues":[181],"predicted":[182],"per":[183],"peak.":[185],"Given":[186],"mappings":[188],"input,":[190],"we":[191],"PeakAssigner,":[193],"combined":[196],"structure-based":[197],"backbone":[198],"resonance":[199],"NOE":[201],"uses":[205],"just":[206],"15N-NOESY,":[207],"while":[208],"avoiding":[209],"TOCSY":[210],"experiments":[211],"13C-":[213],"labeling,":[214],"resolve":[216],"ambiguities":[218],"one-toone":[221],"three":[225],"94%":[233],"better.":[235],"Copyright":[236],"\u00a9":[237],"2011":[238],"ACM.":[239]},"counts_by_year":[],"updated_date":"2026-02-09T09:26:11.010843","created_date":"2016-06-24T00:00:00"}
