{"id":"https://openalex.org/W2020351375","doi":"https://doi.org/10.1002/bip.1979.360180207","title":"Use of amide 1H\u2010nmr titration shifts for studies of polypeptide conformation","display_name":"Use of amide 1H\u2010nmr titration shifts for studies of polypeptide conformation","publication_year":1979,"publication_date":"1979-02-01","ids":{"openalex":"https://openalex.org/W2020351375","doi":"https://doi.org/10.1002/bip.1979.360180207","mag":"2020351375"},"language":"en","primary_location":{"id":"doi:10.1002/bip.1979.360180207","doi":"https://doi.org/10.1002/bip.1979.360180207","is_oa":false,"landing_page_url":"https://doi.org/10.1002/bip.1979.360180207","pdf_url":null,"source":{"id":"https://openalex.org/S56808608","display_name":"Biopolymers","issn_l":"0006-3525","issn":["0006-3525","1097-0282"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Biopolymers","raw_type":"journal-article"},"volume":null,"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/A5008073563","display_name":"Arno Bundi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I35440088","display_name":"ETH Zurich","ror":"https://ror.org/05a28rw58","country_code":"CH","type":"education","lineage":["https://openalex.org/I2799323385","https://openalex.org/I35440088"]},{"id":"https://openalex.org/I4405255162","display_name":"Institute of Molecular Biology and Biophysics","ror":"https://ror.org/02p702482","country_code":"CH","type":"facility","lineage":["https://openalex.org/I2799323385","https://openalex.org/I35440088","https://openalex.org/I4405255162"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Arno Bundi","raw_affiliation_strings":["Institut fu\u0308r Molekularbiologie und Biophysik, Eidgeno\u0308ssische Technische Hochschule, CH-8093 Zu\u0308rich-Ho\u0308nggerberg, Switzerland","Institut f\u00fcr Molekularbiologie und Biophysik, Eidgen\u00f6ssische Technische Hochschule, CH-8093 Z\u00fcrich-H\u00f6nggerberg, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institut fu\u0308r Molekularbiologie und Biophysik, Eidgeno\u0308ssische Technische Hochschule, CH-8093 Zu\u0308rich-Ho\u0308nggerberg, Switzerland","institution_ids":["https://openalex.org/I35440088","https://openalex.org/I4405255162"]},{"raw_affiliation_string":"Institut f\u00fcr Molekularbiologie und Biophysik, Eidgen\u00f6ssische Technische Hochschule, CH-8093 Z\u00fcrich-H\u00f6nggerberg, Switzerland","institution_ids":["https://openalex.org/I35440088","https://openalex.org/I4405255162"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5000254356","display_name":"Kurt W\u00fcthrich A","orcid":"https://orcid.org/0000-0001-8739-6965","observed_orcids":["https://orcid.org/0000-0001-8739-6965","https://orcid.org/0000-0003-2612-6616"]},"institutions":[{"id":"https://openalex.org/I35440088","display_name":"ETH Zurich","ror":"https://ror.org/05a28rw58","country_code":"CH","type":"education","lineage":["https://openalex.org/I2799323385","https://openalex.org/I35440088"]},{"id":"https://openalex.org/I4405255162","display_name":"Institute of Molecular Biology and Biophysics","ror":"https://ror.org/02p702482","country_code":"CH","type":"facility","lineage":["https://openalex.org/I2799323385","https://openalex.org/I35440088","https://openalex.org/I4405255162"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Kurt W\u00fcthrich","raw_affiliation_strings":["Institut fu\u0308r Molekularbiologie und Biophysik, Eidgeno\u0308ssische Technische Hochschule, CH-8093 Zu\u0308rich-Ho\u0308nggerberg, Switzerland","Institut f\u00fcr Molekularbiologie und Biophysik, Eidgen\u00f6ssische Technische Hochschule, CH-8093 Z\u00fcrich-H\u00f6nggerberg, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institut fu\u0308r Molekularbiologie und Biophysik, Eidgeno\u0308ssische Technische Hochschule, CH-8093 Zu\u0308rich-Ho\u0308nggerberg, Switzerland","institution_ids":["https://openalex.org/I35440088","https://openalex.org/I4405255162"]},{"raw_affiliation_string":"Institut f\u00fcr Molekularbiologie und Biophysik, Eidgen\u00f6ssische Technische Hochschule, CH-8093 Z\u00fcrich-H\u00f6nggerberg, Switzerland","institution_ids":["https://openalex.org/I35440088","https://openalex.org/I4405255162"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4150,"currency":"USD","value_usd":4150},"apc_paid":null,"fwci":2.2269,"has_fulltext":false,"cited_by_count":133,"citation_normalized_percentile":{"value":0.87506948,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"18","issue":"2","first_page":"299","last_page":"311"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.7523999810218811,"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":0.7523999810218811,"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":0.2159000039100647,"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/T10911","display_name":"Chemical Synthesis and Analysis","score":0.013799999840557575,"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/peptide-conformation","display_name":"peptide conformation","score":0.9909999966621399},{"id":"https://openalex.org/keywords/intramolecular-hydrogen-bonding","display_name":"intramolecular hydrogen bonding","score":0.9700000286102295},{"id":"https://openalex.org/keywords/oligopeptides","display_name":"oligopeptides","score":0.6790000200271606},{"id":"https://openalex.org/keywords/conformational-ensembles","display_name":"conformational ensembles","score":0.6259999871253967},{"id":"https://openalex.org/keywords/through-space-interactions","display_name":"through-space interactions","score":0.671999990940094},{"id":"https://openalex.org/keywords/aspartate-residues","display_name":"aspartic acid residues","score":0.5289999842643738}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.89581298828125},{"id":"https://openalex.org/C2778439535","wikidata":"https://www.wikidata.org/wiki/Q188777","display_name":"Amide","level":2,"score":0.8416564464569092},{"id":"https://openalex.org/C184866935","wikidata":"https://www.wikidata.org/wiki/Q191010","display_name":"Titration","level":2,"score":0.8390767574310303},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.6718795895576477},{"id":"https://openalex.org/C75079739","wikidata":"https://www.wikidata.org/wiki/Q1571801","display_name":"Intramolecular force","level":2,"score":0.6341997981071472},{"id":"https://openalex.org/C2781338088","wikidata":"https://www.wikidata.org/wiki/Q903495","display_name":"Residue (chemistry)","level":2,"score":0.6222445964813232},{"id":"https://openalex.org/C2778074193","wikidata":"https://www.wikidata.org/wiki/Q3498942","display_name":"Carboxylate","level":2,"score":0.5921949744224548},{"id":"https://openalex.org/C59244509","wikidata":"https://www.wikidata.org/wiki/Q3699705","display_name":"Titration curve","level":3,"score":0.5842901468276978},{"id":"https://openalex.org/C111429119","wikidata":"https://www.wikidata.org/wiki/Q899127","display_name":"Chemical shift","level":2,"score":0.5771604776382446},{"id":"https://openalex.org/C103319777","wikidata":"https://www.wikidata.org/wiki/Q1979695","display_name":"Proton NMR","level":2,"score":0.5745168924331665},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.4723340570926666},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.4518413841724396},{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.42588362097740173},{"id":"https://openalex.org/C54516573","wikidata":"https://www.wikidata.org/wiki/Q2294","display_name":"Proton","level":2,"score":0.42077136039733887},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.30048173666000366},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1093149483203888},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.10635867714881897},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/bip.1979.360180207","doi":"https://doi.org/10.1002/bip.1979.360180207","is_oa":false,"landing_page_url":"https://doi.org/10.1002/bip.1979.360180207","pdf_url":null,"source":{"id":"https://openalex.org/S56808608","display_name":"Biopolymers","issn_l":"0006-3525","issn":["0006-3525","1097-0282"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Biopolymers","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":19,"referenced_works":["https://openalex.org/W46079562","https://openalex.org/W216672338","https://openalex.org/W1964006288","https://openalex.org/W2000040804","https://openalex.org/W2009683239","https://openalex.org/W2010923110","https://openalex.org/W2021692069","https://openalex.org/W2023471577","https://openalex.org/W2027551716","https://openalex.org/W2030901966","https://openalex.org/W2031018139","https://openalex.org/W2031647295","https://openalex.org/W2049695588","https://openalex.org/W2058575621","https://openalex.org/W2066123250","https://openalex.org/W2073004823","https://openalex.org/W2090930912","https://openalex.org/W2139882268","https://openalex.org/W2329156128"],"related_works":["https://openalex.org/W2064884352","https://openalex.org/W2066123250","https://openalex.org/W2015458994","https://openalex.org/W2017165435","https://openalex.org/W2064070133","https://openalex.org/W2068049784","https://openalex.org/W2005006476","https://openalex.org/W2045025594","https://openalex.org/W2028265417","https://openalex.org/W2038516909"],"abstract_inverted_index":{"Abstract":[0],"This":[1],"paper":[2],"shows":[3],"that":[4,40,104],"backbone":[5,26],"amide":[6,27,80,111,132,141,153,184],"proton":[7,81,133,154],"titration":[8,58,82,165,171],"shifts":[9,83,121,166,172],"in":[10,35,98,113,178],"polypeptide":[11,86,115],"chains":[12],"are":[13,130,167],"a":[14,45,106,114],"very":[15,107],"sensitive":[16],"manifestation":[17],"of":[18,31,38,44,56,65,69,79,94,110,134,143,155],"intramolecular":[19],"hydrogen":[20,180],"bonding":[21,181],"between":[22,182],"carboxylate":[23,187],"groups":[24],"and":[25,145,150,186],"protons.":[28],"The":[29,76],"population":[30],"specific":[32],"hydrogen\u2010bonded":[33],"structures":[34],"the":[36,42,54,57,66,70,131,135,140,146,152,156,160,163,169,183],"ensemble":[37],"species":[39],"constitutes":[41],"conformation":[43,68,87],"flexible":[46],"nonglobular":[47],"linear":[48,71,96],"peptide":[49,72],"can":[50,189],"be":[51,191],"determined":[52],"from":[53,123,174],"extent":[55],"shifts.":[59],"As":[60],"an":[61,63],"illustration,":[62],"investigation":[64],"molecular":[67],"H\u2010Gly\u2010Gly\u2010L\u2010Glu\u2010L\u2010Ala\u2010OH":[73],"is":[74,88],"described.":[75],"proposed":[77],"use":[78],"for":[84],"investigating":[85],"based":[89],"on":[90],"360\u2010MHz":[91],"1H\u2010nmr":[92],"studies":[93],"selected":[95],"oligopeptides":[97],"H2O":[99],"solutions.":[100],"It":[101],"was":[102],"found":[103],"only":[105],"limited":[108],"number":[109],"protons":[112,142,185],"chain":[116],"show":[117],"sizable":[118],"intrinsic":[119,164],"intration":[120],"arising":[122,173],"through\u2010bond":[124],"interactions":[125],"with":[126],"ionizable":[127],"groups.":[128],"These":[129],"C\u2010terminal":[136],"amino":[137],"acid":[138],"residue,":[139],"Asp":[144],"residues":[147],"following":[148],"Asp,":[149],"possibly":[151],"residue":[157],"next":[158],"to":[159],"N\u2010terminus.":[161],"Since":[162],"upfield,":[168],"downfield":[170],"conformation\u2010dependent":[175],"through\u2010space":[176],"interactions,":[177],"particular":[179],"groups,":[188],"readily":[190],"identified.":[192]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2012,"cited_by_count":4}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}