{"id":"https://openalex.org/W2072620700","doi":"https://doi.org/10.1186/s12859-014-0403-1","title":"QUDeX-MS: hydrogen/deuterium exchange calculation for mass spectra with resolved isotopic fine structure","display_name":"QUDeX-MS: hydrogen/deuterium exchange calculation for mass spectra with resolved isotopic fine structure","publication_year":2014,"publication_date":"2014-12-01","ids":{"openalex":"https://openalex.org/W2072620700","doi":"https://doi.org/10.1186/s12859-014-0403-1","mag":"2072620700","pmid":"https://pubmed.ncbi.nlm.nih.gov/25495703"},"language":"en","primary_location":{"id":"doi:10.1186/s12859-014-0403-1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-014-0403-1","pdf_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/s12859-014-0403-1","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/s12859-014-0403-1","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5004760366","display_name":"Joseph P. Salisbury","orcid":"https://orcid.org/0000-0002-9448-9024"},"institutions":[{"id":"https://openalex.org/I12912129","display_name":"Northeastern University","ror":"https://ror.org/04t5xt781","country_code":"US","type":"education","lineage":["https://openalex.org/I12912129"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Joseph P Salisbury","raw_affiliation_strings":["Departments of Chemistry and Chemical Biology and Pharmaceutical Sciences and Barnett Institute of Chemical and Biological Analysis, Northeastern University, 360 Huntington Avenue, Boston, MA, 02115, USA. j.salisbury@neu.edu","Departments of Chemistry and Chemical Biology and Pharmaceutical Sciences and Barnett Institute of Chemical and Biological Analysis, Northeastern University, Boston, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departments of Chemistry and Chemical Biology and Pharmaceutical Sciences and Barnett Institute of Chemical and Biological Analysis, Northeastern University, 360 Huntington Avenue, Boston, MA, 02115, USA. j.salisbury@neu.edu","institution_ids":[]},{"raw_affiliation_string":"Departments of Chemistry and Chemical Biology and Pharmaceutical Sciences and Barnett Institute of Chemical and Biological Analysis, Northeastern University, Boston, USA","institution_ids":["https://openalex.org/I12912129"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100318524","display_name":"Qian Liu","orcid":"https://orcid.org/0000-0001-8525-7961"},"institutions":[{"id":"https://openalex.org/I12912129","display_name":"Northeastern University","ror":"https://ror.org/04t5xt781","country_code":"US","type":"education","lineage":["https://openalex.org/I12912129"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Qian Liu","raw_affiliation_strings":["Departments of Chemistry and Chemical Biology and Pharmaceutical Sciences and Barnett Institute of Chemical and Biological Analysis, Northeastern University, 360 Huntington Avenue, Boston, MA, 02115, USA. qianl2008@gmail.com","Departments of Chemistry and Chemical Biology and Pharmaceutical Sciences and Barnett Institute of Chemical and Biological Analysis, Northeastern University, Boston, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departments of Chemistry and Chemical Biology and Pharmaceutical Sciences and Barnett Institute of Chemical and Biological Analysis, Northeastern University, 360 Huntington Avenue, Boston, MA, 02115, USA. qianl2008@gmail.com","institution_ids":[]},{"raw_affiliation_string":"Departments of Chemistry and Chemical Biology and Pharmaceutical Sciences and Barnett Institute of Chemical and Biological Analysis, Northeastern University, Boston, USA","institution_ids":["https://openalex.org/I12912129"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5052079094","display_name":"Jeffrey N. Agar","orcid":"https://orcid.org/0000-0003-2645-1873"},"institutions":[{"id":"https://openalex.org/I12912129","display_name":"Northeastern University","ror":"https://ror.org/04t5xt781","country_code":"US","type":"education","lineage":["https://openalex.org/I12912129"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jeffrey N Agar","raw_affiliation_strings":["Departments of Chemistry and Chemical Biology and Pharmaceutical Sciences and Barnett Institute of Chemical and Biological Analysis, Northeastern University, 360 Huntington Avenue, Boston, MA, 02115, USA. j.agar@neu.edu","Departments of Chemistry and Chemical Biology and Pharmaceutical Sciences and Barnett Institute of Chemical and Biological Analysis, Northeastern University, Boston, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departments of Chemistry and Chemical Biology and Pharmaceutical Sciences and Barnett Institute of Chemical and Biological Analysis, Northeastern University, 360 Huntington Avenue, Boston, MA, 02115, USA. j.agar@neu.edu","institution_ids":[]},{"raw_affiliation_string":"Departments of Chemistry and Chemical Biology and Pharmaceutical Sciences and Barnett Institute of Chemical and Biological Analysis, Northeastern University, Boston, USA","institution_ids":["https://openalex.org/I12912129"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5004760366"],"corresponding_institution_ids":["https://openalex.org/I12912129"],"apc_list":{"value":1690,"currency":"GBP","value_usd":2072},"apc_paid":{"value":1690,"currency":"GBP","value_usd":2072},"fwci":0.6447,"has_fulltext":true,"cited_by_count":14,"citation_normalized_percentile":{"value":0.66423873,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"15","issue":"1","first_page":"403","last_page":"403"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9573000073432922,"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/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9573000073432922,"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/T10519","display_name":"Advanced Proteomics Techniques and Applications","score":0.025599999353289604,"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/T12073","display_name":"Isotope Analysis in Ecology","score":0.0012000000569969416,"subfield":{"id":"https://openalex.org/subfields/2303","display_name":"Ecology"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.7943049669265747},{"id":"https://openalex.org/keywords/deuterium","display_name":"Deuterium","score":0.7901252508163452},{"id":"https://openalex.org/keywords/hydrogen\u2013deuterium-exchange","display_name":"Hydrogen\u2013deuterium exchange","score":0.735881507396698},{"id":"https://openalex.org/keywords/mass-spectrometry","display_name":"Mass spectrometry","score":0.7092288136482239},{"id":"https://openalex.org/keywords/mass-spectrum","display_name":"Mass spectrum","score":0.535219669342041},{"id":"https://openalex.org/keywords/natural-abundance","display_name":"Natural abundance","score":0.5316354036331177},{"id":"https://openalex.org/keywords/analytical-chemistry","display_name":"Analytical Chemistry (journal)","score":0.47799554467201233},{"id":"https://openalex.org/keywords/isotope","display_name":"Isotope","score":0.44093069434165955},{"id":"https://openalex.org/keywords/ion","display_name":"Ion","score":0.4401644468307495},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.19306522607803345},{"id":"https://openalex.org/keywords/chromatography","display_name":"Chromatography","score":0.1256868839263916},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.11015558242797852},{"id":"https://openalex.org/keywords/nuclear-physics","display_name":"Nuclear physics","score":0.08555835485458374}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7943049669265747},{"id":"https://openalex.org/C58364064","wikidata":"https://www.wikidata.org/wiki/Q102296","display_name":"Deuterium","level":2,"score":0.7901252508163452},{"id":"https://openalex.org/C167569220","wikidata":"https://www.wikidata.org/wiki/Q5954985","display_name":"Hydrogen\u2013deuterium exchange","level":3,"score":0.735881507396698},{"id":"https://openalex.org/C162356407","wikidata":"https://www.wikidata.org/wiki/Q180809","display_name":"Mass spectrometry","level":2,"score":0.7092288136482239},{"id":"https://openalex.org/C40325409","wikidata":"https://www.wikidata.org/wiki/Q2360668","display_name":"Mass spectrum","level":3,"score":0.535219669342041},{"id":"https://openalex.org/C28271814","wikidata":"https://www.wikidata.org/wiki/Q659662","display_name":"Natural abundance","level":3,"score":0.5316354036331177},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.47799554467201233},{"id":"https://openalex.org/C164304813","wikidata":"https://www.wikidata.org/wiki/Q25276","display_name":"Isotope","level":2,"score":0.44093069434165955},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.4401644468307495},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.19306522607803345},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.1256868839263916},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.11015558242797852},{"id":"https://openalex.org/C185544564","wikidata":"https://www.wikidata.org/wiki/Q81197","display_name":"Nuclear physics","level":1,"score":0.08555835485458374},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D002247","descriptor_name":"Carbon Isotopes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002247","descriptor_name":"Carbon Isotopes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002247","descriptor_name":"Carbon Isotopes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003903","descriptor_name":"Deuterium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003903","descriptor_name":"Deuterium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003903","descriptor_name":"Deuterium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006859","descriptor_name":"Hydrogen","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006859","descriptor_name":"Hydrogen","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006859","descriptor_name":"Hydrogen","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007553","descriptor_name":"Isotope Labeling","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007553","descriptor_name":"Isotope Labeling","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007553","descriptor_name":"Isotope Labeling","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010446","descriptor_name":"Peptide Fragments","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010446","descriptor_name":"Peptide Fragments","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010446","descriptor_name":"Peptide Fragments","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":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013058","descriptor_name":"Mass Spectrometry","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D013058","descriptor_name":"Mass Spectrometry","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D013058","descriptor_name":"Mass Spectrometry","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D041961","descriptor_name":"Deuterium Exchange Measurement","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D041961","descriptor_name":"Deuterium Exchange Measurement","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D041961","descriptor_name":"Deuterium Exchange Measurement","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1186/s12859-014-0403-1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-014-0403-1","pdf_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/s12859-014-0403-1","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},{"id":"pmid:25495703","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/25495703","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":"BMC bioinformatics","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:4274694","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4274694","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"BMC Bioinformatics","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/s12859-014-0403-1","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-014-0403-1","pdf_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/s12859-014-0403-1","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G3301766030","display_name":null,"funder_award_id":"R01NS065263","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G5899218955","display_name":null,"funder_award_id":"R01NS065263","funder_id":"https://openalex.org/F4320337359","funder_display_name":"National Institute of Neurological Disorders and Stroke"}],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320337359","display_name":"National Institute of Neurological Disorders and Stroke","ror":"https://ror.org/01s5ya894"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2072620700.pdf","grobid_xml":"https://content.openalex.org/works/W2072620700.grobid-xml"},"referenced_works_count":67,"referenced_works":["https://openalex.org/W1480161928","https://openalex.org/W1600416462","https://openalex.org/W1964461510","https://openalex.org/W1965354795","https://openalex.org/W1967147564","https://openalex.org/W1969383357","https://openalex.org/W1970750126","https://openalex.org/W1971281374","https://openalex.org/W1971983473","https://openalex.org/W1975819759","https://openalex.org/W1977581525","https://openalex.org/W1979597489","https://openalex.org/W1987657794","https://openalex.org/W1988633778","https://openalex.org/W1994471277","https://openalex.org/W2007185001","https://openalex.org/W2012310626","https://openalex.org/W2013365477","https://openalex.org/W2013823401","https://openalex.org/W2015854884","https://openalex.org/W2016086874","https://openalex.org/W2017034853","https://openalex.org/W2023115763","https://openalex.org/W2024290067","https://openalex.org/W2024476952","https://openalex.org/W2026247521","https://openalex.org/W2034128254","https://openalex.org/W2039859255","https://openalex.org/W2043517534","https://openalex.org/W2046764649","https://openalex.org/W2047775854","https://openalex.org/W2048446589","https://openalex.org/W2048455377","https://openalex.org/W2054807161","https://openalex.org/W2055595280","https://openalex.org/W2057657722","https://openalex.org/W2059918071","https://openalex.org/W2066007559","https://openalex.org/W2066736637","https://openalex.org/W2066928228","https://openalex.org/W2071228911","https://openalex.org/W2071816567","https://openalex.org/W2074294520","https://openalex.org/W2079724595","https://openalex.org/W2079945911","https://openalex.org/W2080129539","https://openalex.org/W2084692275","https://openalex.org/W2086475314","https://openalex.org/W2088793589","https://openalex.org/W2090314712","https://openalex.org/W2096542107","https://openalex.org/W2097680693","https://openalex.org/W2098049673","https://openalex.org/W2111724504","https://openalex.org/W2116563547","https://openalex.org/W2118186171","https://openalex.org/W2118406424","https://openalex.org/W2123989476","https://openalex.org/W2124234606","https://openalex.org/W2130406633","https://openalex.org/W2154731156","https://openalex.org/W2159421809","https://openalex.org/W2312480201","https://openalex.org/W2314611360","https://openalex.org/W2317768851","https://openalex.org/W2326507119","https://openalex.org/W2331145638"],"related_works":["https://openalex.org/W2145338618","https://openalex.org/W2418999629","https://openalex.org/W2312934153","https://openalex.org/W4231758730","https://openalex.org/W2146020529","https://openalex.org/W2899005858","https://openalex.org/W2951704468","https://openalex.org/W2328891786","https://openalex.org/W1969399948","https://openalex.org/W2007920006"],"abstract_inverted_index":{"BACKGROUND:":[0],"Hydrogen/deuterium":[1],"exchange":[2,147,174],"(HDX)":[3],"coupled":[4],"to":[5,121,126,148,193,229],"mass":[6,19,43,116,238],"spectrometry":[7,20],"permits":[8],"analysis":[9,252],"of":[10,16,30,60,78,101,104,111,130,145,151,167,173,178,205,233,242,272],"structure,":[11],"dynamics,":[12],"and":[13,50,58,75,95,208,218,240,282],"molecular":[14],"interactions":[15],"proteins.":[17,206],"HDX":[18],"is":[21,108,188,262],"confounded":[22],"by":[23,277],"deuterium":[24,61,79,131,146],"exchange-associated":[25],"peaks":[26,29,103,112],"overlapping":[27,243],"with":[28,84,257],"heavy,":[31],"natural":[32,183],"abundance":[33],"isotopes,":[34],"such":[35,181],"as":[36,182],"carbon-13.":[37],"Recent":[38],"studies":[39],"demonstrated":[40],"that":[41,70],"high-performance":[42],"spectrometers":[44],"could":[45],"resolve":[46],"isotopic":[47,85,259,273],"fine":[48,86,223,260,274],"structure":[49,224,261,275],"eliminate":[51],"this":[52],"peak":[53],"overlap,":[54],"allowing":[55],"direct":[56],"detection":[57,172],"quantification":[59],"incorporation.":[62],"RESULTS:":[63],"Here,":[64],"we":[65,265],"present":[66],"a":[67,73,82,89,164],"graphical":[68],"tool":[69,187],"allows":[71],"for":[72,160,213,254,284],"rapid":[74],"automated":[76],"estimation":[77],"incorporation":[80,155],"from":[81,199,202],"spectrum":[83,117,135],"structure.":[87],"Given":[88],"peptide":[90],"sequence":[91,231],"(or":[92],"elemental":[93,169],"formula)":[94],"charge":[96],"state,":[97],"the":[98,105,128,142,152,227,250,270],"mass-to-charge":[99],"ratios":[100],"deuterium-associated":[102],"specified":[106],"ion":[107,161,197,244],"determined.":[109],"Intensities":[110],"in":[113,175,195,269],"an":[114,168,279],"experimental":[115],"within":[118],"bins":[119],"corresponding":[120],"these":[122],"values":[123],"are":[124,211],"used":[125],"determine":[127],"distribution":[129,144],"incorporated.":[132],"A":[133,186],"theoretical":[134],"can":[136,156],"then":[137],"be":[138,158],"calculated":[139],"based":[140],"on":[141],"estimated":[143],"confirm":[149],"interpretation":[150],"spectrum.":[153],"Deuterium":[154],"also":[157,189],"detected":[159],"signals":[162,198],"without":[163],"priori":[165],"specification":[166],"formula,":[170],"permitting":[171],"complex":[176],"samples":[177],"unidentified":[179],"material":[180],"organic":[184],"matter.":[185],"incorporated":[190],"into":[191],"QUDeX-MS":[192,264],"help":[194],"assigning":[196],"peptides":[200],"arising":[201],"enzymatic":[203],"digestion":[204],"MATLAB-deployable":[207],"standalone":[209],"versions":[210],"available":[212],"academic":[214],"use":[215],"at":[216],"qudex-ms.sourceforge.net":[217],"agarlabs.com":[219],".":[220],"CONCLUSION:":[221],"Isotopic":[222],"HDX-MS":[225,255,276],"offers":[226],"potential":[228],"increase":[230],"coverage":[232],"proteins":[234],"being":[235],"analyzed":[236],"through":[237],"accuracy":[239],"deconvolution":[241],"signals.":[245],"As":[246],"previously":[247],"demonstrated,":[248],"however,":[249],"data":[251,256,285],"workflow":[253,281],"resolved":[258],"distinct.":[263],"hope":[266],"will":[267],"aid":[268],"adoption":[271],"providing":[278],"intuitive":[280],"interface":[283],"analysis.":[286]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1}],"updated_date":"2026-04-29T09:16:38.111599","created_date":"2025-10-10T00:00:00"}
