{"id":"https://openalex.org/W2099274429","doi":"https://doi.org/10.1093/bioinformatics/btn062","title":"ISD: a software package for Bayesian NMR structure calculation","display_name":"ISD: a software package for Bayesian NMR structure calculation","publication_year":2008,"publication_date":"2008-02-28","ids":{"openalex":"https://openalex.org/W2099274429","doi":"https://doi.org/10.1093/bioinformatics/btn062","mag":"2099274429","pmid":"https://pubmed.ncbi.nlm.nih.gov/18310055"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btn062","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btn062","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":null,"license_id":null,"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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5003470400","display_name":"Wolfgang Rieping","orcid":null},"institutions":[{"id":"https://openalex.org/I157536573","display_name":"Institut Pasteur","ror":"https://ror.org/0495fxg12","country_code":"FR","type":"nonprofit","lineage":["https://openalex.org/I157536573"]},{"id":"https://openalex.org/I4210112458","display_name":"Max Planck Institute for Developmental Biology","ror":"https://ror.org/022jc0g24","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210112458"]},{"id":"https://openalex.org/I4210112925","display_name":"Max Planck Institute for Biological Cybernetics","ror":"https://ror.org/026nmvv73","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210112925"]}],"countries":["DE","FR"],"is_corresponding":false,"raw_author_name":"Wolfgang Rieping","raw_affiliation_strings":["1 Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, UK, 2Unit\u00e9 de Bioinformatique Structurale, Institut Pasteur, Centre National de la Recherche URA 2185, 25-28, Rue du Dr Roux, 75724 Paris Cedex 15, France and 3Max Planck Institute for Developmental Biology, Spemannstrasse 35 and Max Planck Institute for Biological Cybernetics, Spemannstrasse 38, 72076 T\u00fcbingen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"1 Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, UK, 2Unit\u00e9 de Bioinformatique Structurale, Institut Pasteur, Centre National de la Recherche URA 2185, 25-28, Rue du Dr Roux, 75724 Paris Cedex 15, France and 3Max Planck Institute for Developmental Biology, Spemannstrasse 35 and Max Planck Institute for Biological Cybernetics, Spemannstrasse 38, 72076 T\u00fcbingen, Germany","institution_ids":["https://openalex.org/I4210112925","https://openalex.org/I157536573","https://openalex.org/I4210112458"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024276029","display_name":"Micha\u00ebl Nilges","orcid":"https://orcid.org/0000-0002-1451-8092"},"institutions":[{"id":"https://openalex.org/I157536573","display_name":"Institut Pasteur","ror":"https://ror.org/0495fxg12","country_code":"FR","type":"nonprofit","lineage":["https://openalex.org/I157536573"]},{"id":"https://openalex.org/I4210112458","display_name":"Max Planck Institute for Developmental Biology","ror":"https://ror.org/022jc0g24","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210112458"]},{"id":"https://openalex.org/I4210112925","display_name":"Max Planck Institute for Biological Cybernetics","ror":"https://ror.org/026nmvv73","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210112925"]}],"countries":["DE","FR"],"is_corresponding":false,"raw_author_name":"Michael Nilges","raw_affiliation_strings":["1 Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, UK, 2Unit\u00e9 de Bioinformatique Structurale, Institut Pasteur, Centre National de la Recherche URA 2185, 25-28, Rue du Dr Roux, 75724 Paris Cedex 15, France and 3Max Planck Institute for Developmental Biology, Spemannstrasse 35 and Max Planck Institute for Biological Cybernetics, Spemannstrasse 38, 72076 T\u00fcbingen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"1 Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, UK, 2Unit\u00e9 de Bioinformatique Structurale, Institut Pasteur, Centre National de la Recherche URA 2185, 25-28, Rue du Dr Roux, 75724 Paris Cedex 15, France and 3Max Planck Institute for Developmental Biology, Spemannstrasse 35 and Max Planck Institute for Biological Cybernetics, Spemannstrasse 38, 72076 T\u00fcbingen, Germany","institution_ids":["https://openalex.org/I4210112925","https://openalex.org/I157536573","https://openalex.org/I4210112458"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5062146626","display_name":"Michael Habeck","orcid":"https://orcid.org/0000-0002-2188-5667"},"institutions":[{"id":"https://openalex.org/I157536573","display_name":"Institut Pasteur","ror":"https://ror.org/0495fxg12","country_code":"FR","type":"nonprofit","lineage":["https://openalex.org/I157536573"]},{"id":"https://openalex.org/I4210112458","display_name":"Max Planck Institute for Developmental Biology","ror":"https://ror.org/022jc0g24","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210112458"]},{"id":"https://openalex.org/I4210112925","display_name":"Max Planck Institute for Biological Cybernetics","ror":"https://ror.org/026nmvv73","country_code":"DE","type":"facility","lineage":["https://openalex.org/I149899117","https://openalex.org/I4210112925"]}],"countries":["DE","FR"],"is_corresponding":false,"raw_author_name":"Michael Habeck","raw_affiliation_strings":["1 Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, UK, 2Unit\u00e9 de Bioinformatique Structurale, Institut Pasteur, Centre National de la Recherche URA 2185, 25-28, Rue du Dr Roux, 75724 Paris Cedex 15, France and 3Max Planck Institute for Developmental Biology, Spemannstrasse 35 and Max Planck Institute for Biological Cybernetics, Spemannstrasse 38, 72076 T\u00fcbingen, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"1 Department of Biochemistry, University of Cambridge, 80 Tennis Court Road, Cambridge CB2 1GA, UK, 2Unit\u00e9 de Bioinformatique Structurale, Institut Pasteur, Centre National de la Recherche URA 2185, 25-28, Rue du Dr Roux, 75724 Paris Cedex 15, France and 3Max Planck Institute for Developmental Biology, Spemannstrasse 35 and Max Planck Institute for Biological Cybernetics, Spemannstrasse 38, 72076 T\u00fcbingen, Germany","institution_ids":["https://openalex.org/I4210112925","https://openalex.org/I157536573","https://openalex.org/I4210112458"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":null,"fwci":1.1232,"has_fulltext":false,"cited_by_count":36,"citation_normalized_percentile":{"value":0.77330943,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"24","issue":"8","first_page":"1104","last_page":"1105"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.715399980545044,"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":0.715399980545044,"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/T12748","display_name":"Molecular spectroscopy and chirality","score":0.08169999718666077,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.03550000116229057,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.64469313621521},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.6129888296127319},{"id":"https://openalex.org/keywords/bayesian-probability","display_name":"Bayesian probability","score":0.5980302095413208},{"id":"https://openalex.org/keywords/software-package","display_name":"Software package","score":0.5806562900543213},{"id":"https://openalex.org/keywords/r-package","display_name":"R package","score":0.5680367946624756},{"id":"https://openalex.org/keywords/software-engineering","display_name":"Software engineering","score":0.34694719314575195},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.34016188979148865},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.3033443093299866},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.2187137007713318},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2072620391845703}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.64469313621521},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.6129888296127319},{"id":"https://openalex.org/C107673813","wikidata":"https://www.wikidata.org/wiki/Q812534","display_name":"Bayesian probability","level":2,"score":0.5980302095413208},{"id":"https://openalex.org/C3020440742","wikidata":"https://www.wikidata.org/wiki/Q1176855","display_name":"Software package","level":3,"score":0.5806562900543213},{"id":"https://openalex.org/C2984074130","wikidata":"https://www.wikidata.org/wiki/Q73539779","display_name":"R package","level":2,"score":0.5680367946624756},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.34694719314575195},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.34016188979148865},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.3033443093299866},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.2187137007713318},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2072620391845703}],"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":"D001499","descriptor_name":"Bayes Theorem","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001499","descriptor_name":"Bayes Theorem","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001499","descriptor_name":"Bayes Theorem","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001704","descriptor_name":"Biopolymers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001704","descriptor_name":"Biopolymers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001704","descriptor_name":"Biopolymers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003461","descriptor_name":"Crystallography","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D003461","descriptor_name":"Crystallography","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D003461","descriptor_name":"Crystallography","qualifier_ui":"Q000379","qualifier_name":"methods","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":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","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":true},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D010363","descriptor_name":"Pattern Recognition, Automated","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D010363","descriptor_name":"Pattern Recognition, Automated","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D010363","descriptor_name":"Pattern Recognition, Automated","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":5,"locations":[{"id":"doi:10.1093/bioinformatics/btn062","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btn062","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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:18310055","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/18310055","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:edoc.mpg.de:419953","is_oa":false,"landing_page_url":"http://edoc.mpg.de/419953","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,"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":"Bioinformatics, v.24, 1104-1105 (2008)","raw_type":"Article"},{"id":"pmh:oai:edoc.mpg.de:420396","is_oa":false,"landing_page_url":"http://edoc.mpg.de/420396","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,"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":"Bioinformatics, v.24, 1104-1105 (2008)","raw_type":"Article"},{"id":"pmh:oai:pure.mpg.de:item_1790057","is_oa":false,"landing_page_url":"http://hdl.handle.net/11858/00-001M-0000-0013-CA63-6","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,"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":"Bioinformatics","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":10,"referenced_works":["https://openalex.org/W1991172246","https://openalex.org/W2028572252","https://openalex.org/W2051091550","https://openalex.org/W2073807184","https://openalex.org/W2101648527","https://openalex.org/W2135338948","https://openalex.org/W2136094664","https://openalex.org/W2162362489","https://openalex.org/W2169707043","https://openalex.org/W6675436212"],"related_works":["https://openalex.org/W4389426664","https://openalex.org/W2566205467","https://openalex.org/W3012616639","https://openalex.org/W3126000805","https://openalex.org/W3198565742","https://openalex.org/W2010064959","https://openalex.org/W2157390150","https://openalex.org/W2119742499","https://openalex.org/W1985266044","https://openalex.org/W4387011503"],"abstract_inverted_index":{"UNLABELLED:":[0],"The":[1,60],"conventional":[2],"approach":[3],"to":[4,20,48,78,104],"calculating":[5],"biomolecular":[6],"structures":[7],"from":[8,37],"nuclear":[9],"magnetic":[10],"resonance":[11],"(NMR)":[12],"data":[13],"is":[14],"often":[15],"viewed":[16],"as":[17,98],"subjective":[18],"due":[19],"its":[21,90],"dependence":[22],"on":[23],"rules":[24],"of":[25,52,113],"thumb":[26],"for":[27,34],"deriving":[28],"geometric":[29],"constraints":[30],"and":[31,89],"suitable":[32],"values":[33],"theory":[35,99],"parameters":[36],"noisy":[38],"experimental":[39],"data.":[40],"As":[41],"a":[42,80],"result,":[43],"it":[44],"can":[45],"be":[46,105],"difficult":[47],"judge":[49],"the":[50,86,114],"precision":[51],"an":[53,57,111],"NMR":[54],"structure":[55,62,88],"in":[56],"objective":[58],"manner.":[59],"inferential":[61],"determination":[63],"(ISD)":[64],"framework,":[65],"which":[66,118],"has":[67],"been":[68],"introduced":[69],"recently,":[70],"addresses":[71],"this":[72,120],"problem":[73],"by":[74],"using":[75],"Bayesian":[76],"inference":[77],"derive":[79],"probability":[81],"distribution":[82],"that":[83,101],"represents":[84],"both":[85],"unknown":[87],"uncertainty.":[91],"It":[92],"also":[93],"determines":[94],"additional":[95],"unknowns,":[96],"such":[97],"parameters,":[100],"normally":[102],"need":[103],"chosen":[106],"empirically.":[107],"Here":[108],"we":[109],"give":[110],"overview":[112],"ISD":[115],"software":[116],"package,":[117],"implements":[119],"methodology.":[121],"AVAILABILITY:":[122],"http://www.bioc.cam.ac.uk/isd":[123]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":5},{"year":2014,"cited_by_count":5},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":5}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}
