{"id":"https://openalex.org/W2169504447","doi":"https://doi.org/10.1002/anie.200602583","title":"Calculation of the Dependence of Homo\u2010 and Heteronuclear 3J and 2J Scalar Couplings for the Determination of the 2\u2032\u2010Hydroxy Conformation in RNA","display_name":"Calculation of the Dependence of Homo\u2010 and Heteronuclear 3J and 2J Scalar Couplings for the Determination of the 2\u2032\u2010Hydroxy Conformation in RNA","publication_year":2006,"publication_date":"2006-09-27","ids":{"openalex":"https://openalex.org/W2169504447","doi":"https://doi.org/10.1002/anie.200602583","mag":"2169504447","pmid":"https://pubmed.ncbi.nlm.nih.gov/17006869"},"language":"en","primary_location":{"id":"doi:10.1002/anie.200602583","doi":"https://doi.org/10.1002/anie.200602583","is_oa":false,"landing_page_url":"https://doi.org/10.1002/anie.200602583","pdf_url":null,"source":{"id":"https://openalex.org/S67393510","display_name":"Angewandte Chemie International Edition","issn_l":"1433-7851","issn":["1433-7851","1521-3773"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-3","ki-jl-2","medline","norway-2","poland-200","russia-white-list-1","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":"Angewandte Chemie International Edition","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"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/A5053104559","display_name":"J\u00f6rg Fohrer","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210131661","display_name":"Max Planck Institute for Biophysical Chemistry","ror":"https://ror.org/03e76ya46","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210131661","https://openalex.org/I4387154714"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"J\u00f6rg Fohrer","raw_affiliation_strings":["Abteilung 030, Max-Planck-Institut f\u00fcr Biophysikalische Chemie, Am Fassberg 11, 37077 G\u00f6ttingen, Germany","Abteilung 030, Max-Planck-Institut fu\u0308r Biophysikalische Chemie, Am Fassberg 11, 37077 Go\u0308ttingen, Germany, Fax: (+49) 551-201-2202"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Abteilung 030, Max-Planck-Institut f\u00fcr Biophysikalische Chemie, Am Fassberg 11, 37077 G\u00f6ttingen, Germany","institution_ids":["https://openalex.org/I4210131661"]},{"raw_affiliation_string":"Abteilung 030, Max-Planck-Institut fu\u0308r Biophysikalische Chemie, Am Fassberg 11, 37077 Go\u0308ttingen, Germany, Fax: (+49) 551-201-2202","institution_ids":["https://openalex.org/I4210131661"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059642168","display_name":"Uwe Michael Reinscheid","orcid":"https://orcid.org/0000-0003-3364-2483","observed_orcids":["https://orcid.org/0000-0003-3364-2483"]},"institutions":[{"id":"https://openalex.org/I4210131661","display_name":"Max Planck Institute for Biophysical Chemistry","ror":"https://ror.org/03e76ya46","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210131661","https://openalex.org/I4387154714"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Uwe Reinscheid","raw_affiliation_strings":["Abteilung 030, Max-Planck-Institut fu\u0308r Biophysikalische Chemie, Am Fassberg 11, 37077 Go\u0308ttingen, Germany,","Abteilung 030, Max-Planck-Institut fu\u0308r Biophysikalische Chemie, Am Fassberg 11, 37077 Go\u0308ttingen, Germany, Fax: (+49) 551-201-2202"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Abteilung 030, Max-Planck-Institut fu\u0308r Biophysikalische Chemie, Am Fassberg 11, 37077 Go\u0308ttingen, Germany,","institution_ids":["https://openalex.org/I4210131661"]},{"raw_affiliation_string":"Abteilung 030, Max-Planck-Institut fu\u0308r Biophysikalische Chemie, Am Fassberg 11, 37077 Go\u0308ttingen, Germany, Fax: (+49) 551-201-2202","institution_ids":["https://openalex.org/I4210131661"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065715606","display_name":"Mirko Hennig","orcid":"https://orcid.org/0009-0009-0238-737X","observed_orcids":["https://orcid.org/0009-0009-0238-737X"]},"institutions":[{"id":"https://openalex.org/I153297377","display_name":"Medical University of South Carolina","ror":"https://ror.org/012jban78","country_code":"US","type":"education","lineage":["https://openalex.org/I153297377"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Mirko Hennig","raw_affiliation_strings":["Department of Biochemistry and Molecular Biology, Medical University of South Carolina, 173 Ashley Avenue, P.O. Box 250509, Charleston, SC 29425, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Biochemistry and Molecular Biology, Medical University of South Carolina, 173 Ashley Avenue, P.O. Box 250509, Charleston, SC 29425, USA","institution_ids":["https://openalex.org/I153297377"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5012542357","display_name":"Teresa Carlomagno","orcid":"https://orcid.org/0000-0002-2437-2760","observed_orcids":["https://orcid.org/0000-0002-2437-2760"]},"institutions":[{"id":"https://openalex.org/I4210131661","display_name":"Max Planck Institute for Biophysical Chemistry","ror":"https://ror.org/03e76ya46","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210131661","https://openalex.org/I4387154714"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Teresa Carlomagno","raw_affiliation_strings":["Abteilung 030, Max-Planck-Institut fu\u0308r Biophysikalische Chemie, Am Fassberg 11, 37077 Go\u0308ttingen, Germany,","Abteilung 030, Max-Planck-Institut fu\u0308r Biophysikalische Chemie, Am Fassberg 11, 37077 Go\u0308ttingen, Germany, Fax: (+49) 551-201-2202"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Abteilung 030, Max-Planck-Institut fu\u0308r Biophysikalische Chemie, Am Fassberg 11, 37077 Go\u0308ttingen, Germany,","institution_ids":["https://openalex.org/I4210131661"]},{"raw_affiliation_string":"Abteilung 030, Max-Planck-Institut fu\u0308r Biophysikalische Chemie, Am Fassberg 11, 37077 Go\u0308ttingen, Germany, Fax: (+49) 551-201-2202","institution_ids":["https://openalex.org/I4210131661"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":5510,"currency":"USD","value_usd":5510},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.1497988,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":96},"biblio":{"volume":"45","issue":"42","first_page":"7033","last_page":"7036"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.38280001282691956,"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"}},"topics":[{"id":"https://openalex.org/T11809","display_name":"Advanced NMR Techniques and Applications","score":0.38280001282691956,"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/T10432","display_name":"DNA and Nucleic Acid Chemistry","score":0.2985999882221222,"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":0.15549999475479126,"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/spin-spin-coupling-constants","display_name":"spin-spin coupling constants","score":0.7179999947547913},{"id":"https://openalex.org/keywords/first-principles-calculations","display_name":"first-principles calculations","score":0.8130000233650208},{"id":"https://openalex.org/keywords/heteronuclear-nmr","display_name":"heteronuclear NMR","score":0.5740000009536743},{"id":"https://openalex.org/keywords/rna-structure","display_name":"RNA structure","score":0.38999998569488525}],"concepts":[{"id":"https://openalex.org/C92381491","wikidata":"https://www.wikidata.org/wiki/Q5747409","display_name":"Heteronuclear molecule","level":3,"score":0.6987756490707397},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.6074346303939819},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.5813276767730713},{"id":"https://openalex.org/C57691317","wikidata":"https://www.wikidata.org/wiki/Q1289248","display_name":"Scalar (mathematics)","level":2,"score":0.5682972073554993},{"id":"https://openalex.org/C2778152352","wikidata":"https://www.wikidata.org/wiki/Q5165061","display_name":"Content (measure theory)","level":2,"score":0.5467709898948669},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.4996044635772705},{"id":"https://openalex.org/C33332235","wikidata":"https://www.wikidata.org/wiki/Q18362","display_name":"Theoretical physics","level":1,"score":0.3567247688770294},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.34737497568130493},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.34394943714141846},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.2786632180213928},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.181106299161911},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.08811095356941223},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.0},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D004578","descriptor_name":"Electron Spin Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006900","descriptor_name":"Hydroxylation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009690","descriptor_name":"Nucleic Acid Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012313","descriptor_name":"RNA","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016011","descriptor_name":"Normal Distribution","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":5,"locations":[{"id":"doi:10.1002/anie.200602583","doi":"https://doi.org/10.1002/anie.200602583","is_oa":false,"landing_page_url":"https://doi.org/10.1002/anie.200602583","pdf_url":null,"source":{"id":"https://openalex.org/S67393510","display_name":"Angewandte Chemie International Edition","issn_l":"1433-7851","issn":["1433-7851","1521-3773"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-3","ki-jl-2","medline","norway-2","poland-200","russia-white-list-1","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":"Angewandte Chemie International Edition","raw_type":"journal-article"},{"id":"pmid:17006869","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/17006869","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,"listed_in":[],"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":"Angewandte Chemie (International ed. in English)","raw_type":"Journal Article"},{"id":"pmh:oai:pure.atira.dk:openaire_cris_publications/9e6a6c1f-6b09-4627-9dcd-1451b00e4341","doi":null,"is_oa":false,"landing_page_url":"https://research.birmingham.ac.uk/en/publications/9e6a6c1f-6b09-4627-9dcd-1451b00e4341","pdf_url":null,"source":{"id":"https://openalex.org/S4306402634","display_name":"University of Birmingham Research Portal (University of Birmingham)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I79619799","host_organization_name":"University of Birmingham","host_organization_lineage":["https://openalex.org/I79619799"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Fohrer, J, Reinscheid, U, Hennig, M & Carlomagno, T 2006, 'Calculation of the dependence of homo- and heteronuclear 3J and 2J scalar couplings for the determination of the 2'-hydroxy conformation in RNA', Angewandte Chemie (International Edition) , vol. 45, no. 42, pp. 7033-6. https://doi.org/10.1002/anie.200602583","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:edoc.mpg.de:294174","doi":null,"is_oa":false,"landing_page_url":"http://edoc.mpg.de/294174","pdf_url":null,"source":{"id":"https://openalex.org/S4406922265","display_name":"Max Planck Institute for Plasma Physics","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Angewandte Chemie-International Edition, v.45, 7033-7036 (2006)","raw_type":"Article"},{"id":"pmh:oai:pure.mpg.de:item_597583","doi":null,"is_oa":false,"landing_page_url":"http://hdl.handle.net/11858/00-001M-0000-0012-E6B7-E","pdf_url":null,"source":{"id":"https://openalex.org/S4306400654","display_name":"MPG.PuRe (Max Planck Society)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I149899117","host_organization_name":"Max Planck Society","host_organization_lineage":["https://openalex.org/I149899117"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Angewandte Chemie-International Edition","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G2717139571","display_name":"Structure and Folding of Frameshifting mRNA Pseudoknots","funder_award_id":"R01AI040187","funder_id":"https://openalex.org/F4320337355","funder_display_name":"National Institute of Allergy and Infectious Diseases"},{"id":"https://openalex.org/G8572091804","display_name":null,"funder_award_id":"AI040187","funder_id":"https://openalex.org/F4320337355","funder_display_name":"National Institute of Allergy and Infectious Diseases"}],"funders":[{"id":"https://openalex.org/F4320337355","display_name":"National Institute of Allergy and Infectious Diseases","ror":"https://ror.org/043z4tv69"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":12,"referenced_works":["https://openalex.org/W1984328758","https://openalex.org/W2029081636","https://openalex.org/W2034997415","https://openalex.org/W2035822106","https://openalex.org/W2046176664","https://openalex.org/W2058209725","https://openalex.org/W2086957099","https://openalex.org/W2095035583","https://openalex.org/W2104095017","https://openalex.org/W2143981217","https://openalex.org/W2331201449","https://openalex.org/W4240192226"],"related_works":["https://openalex.org/W1985582741","https://openalex.org/W2059958190","https://openalex.org/W1984328758","https://openalex.org/W2022430866","https://openalex.org/W2058209725","https://openalex.org/W2089828997","https://openalex.org/W1969544322","https://openalex.org/W2558477315","https://openalex.org/W2333758257","https://openalex.org/W2464361269"],"abstract_inverted_index":{"Packing":[0],"a":[1,7],"punch:":[2],"The":[3,29],"2\u2032-hydroxy":[4],"group":[5,33],"has":[6],"strong":[8],"effect":[9],"on":[10],"the":[11,22,25,50,64],"structural":[12],"and":[13,18,20,39,41],"dynamic":[14],"properties":[15],"of":[16,24,31],"RNA":[17,26],"DNA,":[19],"governs":[21],"hydration":[23],"minor":[27],"groove.":[28],"conformation":[30],"this":[32],"was":[34],"previously":[35],"investigated":[36],"using":[37],"NOEs":[38],"2J(C2\u2032,OH2)":[40],"3J(C1\u2032/C3\u2032/H2\u2032,OH2)":[42],"couplings":[43,65],"at":[44],"low":[45],"temperature":[46],"in":[47],"water.":[48],"In":[49],"present":[51],"study,":[52],"ab":[53],"initio":[54],"calculations":[55],"were":[56],"used":[57],"to":[58],"derive":[59],"appropriate":[60],"Karplus-like":[61],"equations":[62],"for":[63],"(see":[66],"picture).":[67]},"counts_by_year":[{"year":2020,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2012,"cited_by_count":2}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2016-06-24T00:00:00"}
