{"id":"https://openalex.org/W4416617287","doi":"https://doi.org/10.1007/s10898-026-01645-2","title":"A hybrid combinatorial-continuous strategy for solving molecular distance geometry problems","display_name":"A hybrid combinatorial-continuous strategy for solving molecular distance geometry problems","publication_year":2026,"publication_date":"2026-10-20","ids":{"openalex":"https://openalex.org/W4416617287","doi":"https://doi.org/10.1007/s10898-026-01645-2"},"language":"en","primary_location":{"id":"doi:10.1007/s10898-026-01645-2","doi":"https://doi.org/10.1007/s10898-026-01645-2","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10898-026-01645-2","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10898-026-01645-2.pdf","source":{"id":"https://openalex.org/S115925768","display_name":"Journal of Global Optimization","issn_l":"0925-5001","issn":["0925-5001","1573-2916"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","ccf-b","cwts-core","dongbi-b","jufo-3","norway-1","poland-100","russia-white-list-1"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","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":"Journal of Global Optimization","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["arxiv","crossref","datacite"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://link.springer.com/content/pdf/10.1007/s10898-026-01645-2.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5007017132","display_name":"Leonardo D. Secchin","orcid":"https://orcid.org/0000-0002-9224-9051","observed_orcids":["https://orcid.org/0000-0002-9224-9051"]},"institutions":[{"id":"https://openalex.org/I51235708","display_name":"Universidade Federal do Esp\u00edrito Santo","ror":"https://ror.org/05sxf4h28","country_code":"BR","type":"education","lineage":["https://openalex.org/I51235708"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"L. D. Secchin","raw_affiliation_strings":["Departamento de Matem\u00e1tica Aplicada, Universidade Federal do Esp\u00edrito Santo, S\u00e3o Mateus, ES, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de Matem\u00e1tica Aplicada, Universidade Federal do Esp\u00edrito Santo, S\u00e3o Mateus, ES, Brazil","institution_ids":["https://openalex.org/I51235708"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004303217","display_name":"Wagner Alan Aparecido da Rocha","orcid":"https://orcid.org/0000-0002-3894-4002","observed_orcids":["https://orcid.org/0000-0002-3894-4002"]},"institutions":[{"id":"https://openalex.org/I181391015","display_name":"Universidade Estadual de Campinas (UNICAMP)","ror":"https://ror.org/04wffgt70","country_code":"BR","type":"education","lineage":["https://openalex.org/I181391015"]}],"countries":["BR"],"is_corresponding":true,"raw_author_name":"W. da Rocha","raw_affiliation_strings":["Departamento de Matem\u00e1tica Aplicada, Universidade Estadual de Campinas, Campinas, SP, Brazil"],"raw_orcid":"https://orcid.org/0000-0002-3894-4002","affiliations":[{"raw_affiliation_string":"Departamento de Matem\u00e1tica Aplicada, Universidade Estadual de Campinas, Campinas, SP, Brazil","institution_ids":["https://openalex.org/I181391015"]}]},{"author_position":"middle","author":{"id":null,"display_name":"M. da Rosa","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I181391015","display_name":"Universidade Estadual de Campinas (UNICAMP)","ror":"https://ror.org/04wffgt70","country_code":"BR","type":"education","lineage":["https://openalex.org/I181391015"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"M. da Rosa","raw_affiliation_strings":["Departamento de Matem\u00e1tica Aplicada, Universidade Estadual de Campinas, Campinas, SP, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de Matem\u00e1tica Aplicada, Universidade Estadual de Campinas, Campinas, SP, Brazil","institution_ids":["https://openalex.org/I181391015"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046138085","display_name":"Leo Liberti","orcid":"https://orcid.org/0000-0003-3139-6821","observed_orcids":["https://orcid.org/0000-0003-3139-6821","https://orcid.org/0000-0002-9943-7645"]},"institutions":[{"id":"https://openalex.org/I1294671590","display_name":"Centre National de la Recherche Scientifique","ror":"https://ror.org/02feahw73","country_code":"FR","type":"government","lineage":["https://openalex.org/I1294671590"]},{"id":"https://openalex.org/I142476485","display_name":"\u00c9cole Polytechnique","ror":"https://ror.org/05hy3tk52","country_code":"FR","type":"education","lineage":["https://openalex.org/I142476485","https://openalex.org/I4210145102"]},{"id":"https://openalex.org/I4210139461","display_name":"Laboratoire d'Informatique de l'\u00c9cole Polytechnique","ror":"https://ror.org/04afed728","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1326498283","https://openalex.org/I142476485","https://openalex.org/I4210139461","https://openalex.org/I4210145102","https://openalex.org/I4210159245"]},{"id":"https://openalex.org/I4210145102","display_name":"Institut Polytechnique de Paris","ror":"https://ror.org/042tfbd02","country_code":"FR","type":"education","lineage":["https://openalex.org/I4210145102"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"L. Liberti","raw_affiliation_strings":["LIX CNRS, Ecole Polytechnique, Institut Polytechnique de Paris, Palaiseau, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"LIX CNRS, Ecole Polytechnique, Institut Polytechnique de Paris, Palaiseau, France","institution_ids":["https://openalex.org/I1294671590","https://openalex.org/I142476485","https://openalex.org/I4210139461","https://openalex.org/I4210145102"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5076792725","display_name":"Carlile Lavor","orcid":"https://orcid.org/0000-0002-8105-3627","observed_orcids":["https://orcid.org/0000-0002-8105-3627","https://orcid.org/0009-0000-6105-9178"]},"institutions":[{"id":"https://openalex.org/I181391015","display_name":"Universidade Estadual de Campinas (UNICAMP)","ror":"https://ror.org/04wffgt70","country_code":"BR","type":"education","lineage":["https://openalex.org/I181391015"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"C. Lavor","raw_affiliation_strings":["Departamento de Matem\u00e1tica Aplicada, Universidade Estadual de Campinas, Campinas, SP, Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Departamento de Matem\u00e1tica Aplicada, Universidade Estadual de Campinas, Campinas, SP, Brazil","institution_ids":["https://openalex.org/I181391015"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5004303217"],"corresponding_institution_ids":["https://openalex.org/I181391015"],"apc_list":{"value":2990,"currency":"USD","value_usd":2990},"apc_paid":{"value":2990,"currency":"USD","value_usd":2990},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.00829048,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9965999722480774,"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":0.9965999722480774,"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":0.0008999999845400453,"subfield":{"id":"https://openalex.org/subfields/1315","display_name":"Structural 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":0.00019999999494757503,"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/protein-structure-determination","display_name":"protein structure determination","score":0.8029999732971191},{"id":"https://openalex.org/keywords/nmr-distance-constraints","display_name":"NMR distance constraints","score":0.7900000214576721}],"concepts":[{"id":"https://openalex.org/C2778067643","wikidata":"https://www.wikidata.org/wiki/Q166507","display_name":"Interval (graph theory)","level":2,"score":0.5559999942779541},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.5080999732017517},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.4740000069141388},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.4706000089645386},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.4586000144481659},{"id":"https://openalex.org/C126255220","wikidata":"https://www.wikidata.org/wiki/Q141495","display_name":"Mathematical optimization","level":1,"score":0.33550000190734863},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3073999881744385},{"id":"https://openalex.org/C71169176","wikidata":"https://www.wikidata.org/wiki/Q7512907","display_name":"Signed distance function","level":2,"score":0.2994000017642975},{"id":"https://openalex.org/C184720557","wikidata":"https://www.wikidata.org/wiki/Q7825049","display_name":"Topology (electrical circuits)","level":2,"score":0.28279998898506165},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.271699994802475},{"id":"https://openalex.org/C124668440","wikidata":"https://www.wikidata.org/wiki/Q2305173","display_name":"Chirality (physics)","level":5,"score":0.2653999924659729},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.259799987077713},{"id":"https://openalex.org/C137836250","wikidata":"https://www.wikidata.org/wiki/Q984063","display_name":"Optimization problem","level":2,"score":0.2549999952316284}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1007/s10898-026-01645-2","doi":"https://doi.org/10.1007/s10898-026-01645-2","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10898-026-01645-2","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10898-026-01645-2.pdf","source":{"id":"https://openalex.org/S115925768","display_name":"Journal of Global Optimization","issn_l":"0925-5001","issn":["0925-5001","1573-2916"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","ccf-b","cwts-core","dongbi-b","jufo-3","norway-1","poland-100","russia-white-list-1"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","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":"Journal of Global Optimization","raw_type":"journal-article"},{"id":"pmh:oai:arXiv.org:2510.19970","doi":null,"is_oa":true,"landing_page_url":"https://arxiv.org/abs/2510.19970","pdf_url":"https://arxiv.org/pdf/2510.19970","source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"text"},{"id":"doi:10.48550/arxiv.2510.19970","doi":"https://doi.org/10.48550/arxiv.2510.19970","is_oa":true,"landing_page_url":"https://doi.org/10.48550/arxiv.2510.19970","pdf_url":null,"source":{"id":"https://openalex.org/S4306400194","display_name":"arXiv (Cornell University)","issn_l":"2331-8422","issn":["2331-8422"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I205783295","host_organization_name":"Cornell University","host_organization_lineage":["https://openalex.org/I205783295"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Preprint"}],"best_oa_location":{"id":"doi:10.1007/s10898-026-01645-2","doi":"https://doi.org/10.1007/s10898-026-01645-2","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10898-026-01645-2","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10898-026-01645-2.pdf","source":{"id":"https://openalex.org/S115925768","display_name":"Journal of Global Optimization","issn_l":"0925-5001","issn":["0925-5001","1573-2916"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","ccf-b","cwts-core","dongbi-b","jufo-3","norway-1","poland-100","russia-white-list-1"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","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":"Journal of Global Optimization","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G1970444926","display_name":"Evolution of search trees and order heuristics for constraint problems","funder_award_id":"ANR-24-CE23-1621","funder_id":"https://openalex.org/F4320320883","funder_display_name":"Agence Nationale de la Recherche"},{"id":"https://openalex.org/G390121578","display_name":null,"funder_award_id":"2013/07375-0","funder_id":"https://openalex.org/F4320321091","funder_display_name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior"}],"funders":[{"id":"https://openalex.org/F4320320883","display_name":"Agence Nationale de la Recherche","ror":"https://ror.org/00rbzpz17"},{"id":"https://openalex.org/F4320320997","display_name":"Funda\u00e7\u00e3o de Amparo \u00e0 Pesquisa do Estado de S\u00e3o Paulo","ror":"https://ror.org/02ddkpn78"},{"id":"https://openalex.org/F4320321091","display_name":"Coordena\u00e7\u00e3o de Aperfei\u00e7oamento de Pessoal de N\u00edvel Superior","ror":"https://ror.org/00x0ma614"},{"id":"https://openalex.org/F4320322025","display_name":"Conselho Nacional de Desenvolvimento Cient\u00edfico e Tecnol\u00f3gico","ror":"https://ror.org/03swz6y49"},{"id":"https://openalex.org/F4320323459","display_name":"Universidade Nova de Lisboa","ror":"https://ror.org/02xankh89"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4416617287.pdf","grobid_xml":"https://content.openalex.org/works/W4416617287.grobid-xml"},"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W2145509154","https://openalex.org/W4417106773","https://openalex.org/W7095395086","https://openalex.org/W2322004849","https://openalex.org/W2561820074","https://openalex.org/W2154228232","https://openalex.org/W7099344748","https://openalex.org/W4387546711","https://openalex.org/W7098071057","https://openalex.org/W7096673938"],"abstract_inverted_index":{"Abstract":[0],"The":[1,77,117],"Molecular":[2],"Distance":[3],"Geometry":[4],"Problem":[5],"is":[6],"essential":[7],"to":[8,14,59],"structural":[9],"biology,":[10],"as":[11,45],"it":[12],"seeks":[13],"determine":[15],"three-dimensional":[16],"protein":[17],"structures":[18],"from":[19,84,100],"partial":[20],"interatomic":[21],"distances.":[22],"Its":[23],"discretizable":[24],"subclass":[25],"(DMDGP)":[26],"admits":[27],"an":[28,80,127],"exact":[29],"combinatorial":[30],"formulation":[31,118],"that":[32,92,130,137],"enables":[33],"efficient":[34],"exploration":[35,109],"of":[36],"the":[37,60,74,85,138],"search":[38],"space.":[39],"However,":[40],"in":[41],"practical":[42],"settings":[43],"such":[44],"Nuclear":[46],"Magnetic":[47],"Resonance":[48],"(NMR)":[49],"spectroscopy,":[50],"distances":[51],"are":[52],"available":[53],"only":[54],"within":[55],"uncertainty":[56],"bounds,":[57,149],"leading":[58],"interval":[61],"variant":[62],"(":[63],"i":[64,75],"DMDGP).":[65],"We":[66],"propose":[67],"a":[68,88,94,107],"hybrid":[69],"combinatorial\u2013continuous":[70],"framework":[71],"for":[72],"solving":[73],"DMDGP.":[76],"method":[78],"combines":[79],"enumeration":[81],"process":[82],"derived":[83],"DMDGP":[86],"with":[87],"continuous":[89],"refinement":[90],"stage":[91],"minimizes":[93],"nonconvex":[95],"stress":[96],"function":[97],"penalizing":[98],"deviations":[99],"admissible":[101],"distance":[102,148],"intervals.":[103],"This":[104],"integration":[105],"supports":[106],"systematic":[108],"guided":[110],"by":[111],"discrete":[112],"structure":[113],"and":[114,123],"local":[115],"optimization.":[116],"incorporates":[119],"torsion":[120],"angle":[121],"intervals":[122],"chirality":[124],"constraints":[125],"through":[126],"atom":[128],"ordering":[129],"preserves":[131],"protein-backbone":[132],"geometry.":[133],"Numerical":[134],"experiments":[135],"show":[136],"approach":[139],"efficiently":[140],"reconstructs":[141],"geometrically":[142],"valid":[143],"conformations":[144],"even":[145],"under":[146],"wide":[147],"whereas":[150],"most":[151],"existing":[152],"studies":[153],"assume":[154],"narrow":[155],"ones.":[156]},"counts_by_year":[],"updated_date":"2026-11-06T12:05:46.655746","created_date":"2025-10-25T00:00:00"}