{"id":"https://openalex.org/W4411724732","doi":"https://doi.org/10.1371/journal.pcbi.1013187","title":"Resolving the conformational ensemble of a membrane protein by integrating small-angle scattering with AlphaFold","display_name":"Resolving the conformational ensemble of a membrane protein by integrating small-angle scattering with AlphaFold","publication_year":2025,"publication_date":"2025-06-27","ids":{"openalex":"https://openalex.org/W4411724732","doi":"https://doi.org/10.1371/journal.pcbi.1013187","pmid":"https://pubmed.ncbi.nlm.nih.gov/40577488"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1013187","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1013187","pdf_url":null,"source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1371/journal.pcbi.1013187","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5093892690","display_name":"Samuel Eriksson Lidbrink","orcid":null},"institutions":[{"id":"https://openalex.org/I161593684","display_name":"Stockholm University","ror":"https://ror.org/05f0yaq80","country_code":"SE","type":"education","lineage":["https://openalex.org/I161593684"]},{"id":"https://openalex.org/I2800139495","display_name":"Science for Life Laboratory","ror":"https://ror.org/04ev03g22","country_code":"SE","type":"facility","lineage":["https://openalex.org/I2800139495"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Samuel Eriksson Lidbrink","raw_affiliation_strings":["Science for Life Laboratory, Department of Biochemistry and Biophysics, Stockholm University, Solna, Sweden"],"raw_orcid":"https://orcid.org/0009-0008-4290-0177","affiliations":[{"raw_affiliation_string":"Science for Life Laboratory, Department of Biochemistry and Biophysics, Stockholm University, Solna, Sweden","institution_ids":["https://openalex.org/I161593684","https://openalex.org/I2800139495"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009401803","display_name":"Rebecca J. Howard","orcid":"https://orcid.org/0000-0003-2049-3378"},"institutions":[{"id":"https://openalex.org/I161593684","display_name":"Stockholm University","ror":"https://ror.org/05f0yaq80","country_code":"SE","type":"education","lineage":["https://openalex.org/I161593684"]},{"id":"https://openalex.org/I2800139495","display_name":"Science for Life Laboratory","ror":"https://ror.org/04ev03g22","country_code":"SE","type":"facility","lineage":["https://openalex.org/I2800139495"]},{"id":"https://openalex.org/I86987016","display_name":"KTH Royal Institute of Technology","ror":"https://ror.org/026vcq606","country_code":"SE","type":"education","lineage":["https://openalex.org/I86987016"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Rebecca J. Howard","raw_affiliation_strings":["Science for Life Laboratory, Department of Applied Physics, KTH Royal Institute of Technology, Solna, Sweden","Science for Life Laboratory, Department of Biochemistry and Biophysics, Stockholm University, Solna, Sweden"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Science for Life Laboratory, Department of Applied Physics, KTH Royal Institute of Technology, Solna, Sweden","institution_ids":["https://openalex.org/I2800139495","https://openalex.org/I86987016"]},{"raw_affiliation_string":"Science for Life Laboratory, Department of Biochemistry and Biophysics, Stockholm University, Solna, Sweden","institution_ids":["https://openalex.org/I161593684","https://openalex.org/I2800139495"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082899961","display_name":"Nandan Haloi","orcid":"https://orcid.org/0000-0003-3542-333X"},"institutions":[{"id":"https://openalex.org/I2800139495","display_name":"Science for Life Laboratory","ror":"https://ror.org/04ev03g22","country_code":"SE","type":"facility","lineage":["https://openalex.org/I2800139495"]},{"id":"https://openalex.org/I86987016","display_name":"KTH Royal Institute of Technology","ror":"https://ror.org/026vcq606","country_code":"SE","type":"education","lineage":["https://openalex.org/I86987016"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Nandan Haloi","raw_affiliation_strings":["Science for Life Laboratory, Department of Applied Physics, KTH Royal Institute of Technology, Solna, Sweden"],"raw_orcid":"https://orcid.org/0000-0003-3542-333X","affiliations":[{"raw_affiliation_string":"Science for Life Laboratory, Department of Applied Physics, KTH Royal Institute of Technology, Solna, Sweden","institution_ids":["https://openalex.org/I2800139495","https://openalex.org/I86987016"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5008875190","display_name":"Erik Lindahl","orcid":"https://orcid.org/0000-0002-2734-2794"},"institutions":[{"id":"https://openalex.org/I161593684","display_name":"Stockholm University","ror":"https://ror.org/05f0yaq80","country_code":"SE","type":"education","lineage":["https://openalex.org/I161593684"]},{"id":"https://openalex.org/I2800139495","display_name":"Science for Life Laboratory","ror":"https://ror.org/04ev03g22","country_code":"SE","type":"facility","lineage":["https://openalex.org/I2800139495"]},{"id":"https://openalex.org/I86987016","display_name":"KTH Royal Institute of Technology","ror":"https://ror.org/026vcq606","country_code":"SE","type":"education","lineage":["https://openalex.org/I86987016"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Erik Lindahl","raw_affiliation_strings":["Science for Life Laboratory, Department of Applied Physics, KTH Royal Institute of Technology, Solna, Sweden","Science for Life Laboratory, Department of Biochemistry and Biophysics, Stockholm University, Solna, Sweden"],"raw_orcid":"https://orcid.org/0000-0002-2734-2794","affiliations":[{"raw_affiliation_string":"Science for Life Laboratory, Department of Applied Physics, KTH Royal Institute of Technology, Solna, Sweden","institution_ids":["https://openalex.org/I2800139495","https://openalex.org/I86987016"]},{"raw_affiliation_string":"Science for Life Laboratory, Department of Biochemistry and Biophysics, Stockholm University, Solna, Sweden","institution_ids":["https://openalex.org/I161593684","https://openalex.org/I2800139495"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2655,"currency":"USD","value_usd":2655},"fwci":1.6953,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.83775804,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":98},"biblio":{"volume":"21","issue":"6","first_page":"e1013187","last_page":"e1013187"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9998999834060669,"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":0.9998999834060669,"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":0.9994999766349792,"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/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9994000196456909,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/energy-landscape","display_name":"Energy landscape","score":0.7583348155021667},{"id":"https://openalex.org/keywords/sampling","display_name":"Sampling (signal processing)","score":0.5480577349662781},{"id":"https://openalex.org/keywords/markov-chain","display_name":"Markov chain","score":0.5451670289039612},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.4925559163093567},{"id":"https://openalex.org/keywords/stability","display_name":"Stability (learning theory)","score":0.48290061950683594},{"id":"https://openalex.org/keywords/protein-data-bank","display_name":"Protein Data Bank","score":0.46469518542289734},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.45875808596611023},{"id":"https://openalex.org/keywords/a-priori-and-a-posteriori","display_name":"A priori and a posteriori","score":0.44723087549209595},{"id":"https://openalex.org/keywords/small-angle-scattering","display_name":"Small-angle scattering","score":0.4228581488132477},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.40904372930526733},{"id":"https://openalex.org/keywords/scattering","display_name":"Scattering","score":0.4012535512447357},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.380462646484375},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.37222638726234436},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.34097278118133545},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.21273213624954224},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.17063334584236145},{"id":"https://openalex.org/keywords/nuclear-magnetic-resonance","display_name":"Nuclear magnetic resonance","score":0.12190806865692139},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.11862215399742126}],"concepts":[{"id":"https://openalex.org/C119621388","wikidata":"https://www.wikidata.org/wiki/Q5377166","display_name":"Energy landscape","level":2,"score":0.7583348155021667},{"id":"https://openalex.org/C140779682","wikidata":"https://www.wikidata.org/wiki/Q210868","display_name":"Sampling (signal processing)","level":3,"score":0.5480577349662781},{"id":"https://openalex.org/C98763669","wikidata":"https://www.wikidata.org/wiki/Q176645","display_name":"Markov chain","level":2,"score":0.5451670289039612},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.4925559163093567},{"id":"https://openalex.org/C112972136","wikidata":"https://www.wikidata.org/wiki/Q7595718","display_name":"Stability (learning theory)","level":2,"score":0.48290061950683594},{"id":"https://openalex.org/C119145174","wikidata":"https://www.wikidata.org/wiki/Q7251429","display_name":"Protein Data Bank","level":3,"score":0.46469518542289734},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.45875808596611023},{"id":"https://openalex.org/C75553542","wikidata":"https://www.wikidata.org/wiki/Q178161","display_name":"A priori and a posteriori","level":2,"score":0.44723087549209595},{"id":"https://openalex.org/C112416005","wikidata":"https://www.wikidata.org/wiki/Q7542589","display_name":"Small-angle scattering","level":3,"score":0.4228581488132477},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.40904372930526733},{"id":"https://openalex.org/C191486275","wikidata":"https://www.wikidata.org/wiki/Q210028","display_name":"Scattering","level":2,"score":0.4012535512447357},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.380462646484375},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.37222638726234436},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.34097278118133545},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.21273213624954224},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.17063334584236145},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.12190806865692139},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.11862215399742126},{"id":"https://openalex.org/C94915269","wikidata":"https://www.wikidata.org/wiki/Q1834857","display_name":"Detector","level":2,"score":0.0},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.0},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000648","qualifier_name":"ultrastructure","is_major_topic":true},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000648","qualifier_name":"ultrastructure","is_major_topic":true},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000648","qualifier_name":"ultrastructure","is_major_topic":true},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D019295","descriptor_name":"Computational Biology","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D033363","descriptor_name":"Neutron Diffraction","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D033363","descriptor_name":"Neutron Diffraction","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D033363","descriptor_name":"Neutron Diffraction","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053838","descriptor_name":"Scattering, Small Angle","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053838","descriptor_name":"Scattering, Small Angle","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D053838","descriptor_name":"Scattering, Small Angle","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1371/journal.pcbi.1013187","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1013187","pdf_url":null,"source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},{"id":"pmid:40577488","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/40577488","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":"PLoS computational biology","raw_type":null},{"id":"pmh:oai:doaj.org/article:ad89604e52524f5b8370aa7b6aef5519","is_oa":true,"landing_page_url":"https://doaj.org/article/ad89604e52524f5b8370aa7b6aef5519","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","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":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Computational Biology, Vol 21, Iss 6, p e1013187 (2025)","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:12251176","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/12251176","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":"PLoS Comput Biol","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1371/journal.pcbi.1013187","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1013187","pdf_url":null,"source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G2117197532","display_name":null,"funder_award_id":"2019-02433","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"},{"id":"https://openalex.org/G3983601030","display_name":null,"funder_award_id":"Berzelius-2023-244","funder_id":"https://openalex.org/F4320322327","funder_display_name":"Knut och Alice Wallenbergs Stiftelse"},{"id":"https://openalex.org/G7688014632","display_name":null,"funder_award_id":"101107036","funder_id":"https://openalex.org/F4320338337","funder_display_name":"H2020 Marie Sk\u0142odowska-Curie Actions"},{"id":"https://openalex.org/G8099961586","display_name":null,"funder_award_id":"2021-05806","funder_id":"https://openalex.org/F4320322581","funder_display_name":"Vetenskapsr\u00e5det"}],"funders":[{"id":"https://openalex.org/F4320317161","display_name":"Swedish e-Science Research Centre","ror":"https://ror.org/01e59yk92"},{"id":"https://openalex.org/F4320318524","display_name":"Sven och Lilly Lawskis Fond f\u00f6r Naturvetenskaplig Forskning","ror":null},{"id":"https://openalex.org/F4320322327","display_name":"Knut och Alice Wallenbergs Stiftelse","ror":"https://ror.org/004hzzk67"},{"id":"https://openalex.org/F4320322581","display_name":"Vetenskapsr\u00e5det","ror":"https://ror.org/03zttf063"},{"id":"https://openalex.org/F4320338337","display_name":"H2020 Marie Sk\u0142odowska-Curie Actions","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":62,"referenced_works":["https://openalex.org/W1987327282","https://openalex.org/W2005710177","https://openalex.org/W2029667189","https://openalex.org/W2029694443","https://openalex.org/W2043911150","https://openalex.org/W2049475242","https://openalex.org/W2064274102","https://openalex.org/W2067174909","https://openalex.org/W2101532349","https://openalex.org/W2103945336","https://openalex.org/W2122339645","https://openalex.org/W2128572087","https://openalex.org/W2140673705","https://openalex.org/W2161605421","https://openalex.org/W2171268876","https://openalex.org/W2612790657","https://openalex.org/W2734356283","https://openalex.org/W2789404130","https://openalex.org/W2883596424","https://openalex.org/W2950954328","https://openalex.org/W2951455942","https://openalex.org/W2998073354","https://openalex.org/W3013236057","https://openalex.org/W3121562227","https://openalex.org/W3138272667","https://openalex.org/W3173365356","https://openalex.org/W3177828909","https://openalex.org/W3181152371","https://openalex.org/W3186179742","https://openalex.org/W3196480141","https://openalex.org/W3202105508","https://openalex.org/W3205467990","https://openalex.org/W4214847177","https://openalex.org/W4220966234","https://openalex.org/W4225861603","https://openalex.org/W4229008359","https://openalex.org/W4281790889","https://openalex.org/W4291019813","https://openalex.org/W4292636432","https://openalex.org/W4309656543","https://openalex.org/W4312364424","https://openalex.org/W4316506851","https://openalex.org/W4320495379","https://openalex.org/W4322718763","https://openalex.org/W4353031808","https://openalex.org/W4362608511","https://openalex.org/W4379117760","https://openalex.org/W4382651928","https://openalex.org/W4385683583","https://openalex.org/W4386793933","https://openalex.org/W4387541028","https://openalex.org/W4388627063","https://openalex.org/W4389056394","https://openalex.org/W4390669104","https://openalex.org/W4393233076","https://openalex.org/W4393972434","https://openalex.org/W4394855133","https://openalex.org/W4396721167","https://openalex.org/W4399276094","https://openalex.org/W4401844424","https://openalex.org/W4401895022","https://openalex.org/W4402860010"],"related_works":["https://openalex.org/W3126783617","https://openalex.org/W4385683583","https://openalex.org/W3093468851","https://openalex.org/W4280624450","https://openalex.org/W2121688928","https://openalex.org/W2732388178","https://openalex.org/W2806488847","https://openalex.org/W2185518315","https://openalex.org/W4388749535","https://openalex.org/W4389958586"],"abstract_inverted_index":{"The":[0,159],"function":[1],"of":[2,17,31,97,141,218,247],"a":[3,14,67,93],"protein":[4],"is":[5,63],"enabled":[6],"by":[7],"its":[8],"conformational":[9,95],"landscape.":[10],"For":[11],"non-rigid":[12],"proteins,":[13],"complete":[15],"characterization":[16],"this":[18,106],"landscape":[19],"requires":[20],"understanding":[21],"the":[22,29,38,51,79,108,139,187,197,208,213,242],"protein's":[23],"structure":[24],"in":[25,74,181,212],"all":[26],"functional":[27,98],"states,":[28],"stability":[30],"these":[32],"states":[33,71,99,164],"under":[34,100,131,170],"target":[35,101],"conditions,":[36,135],"and":[37,77,119,123,133,151,162,172,176,205,222],"transition":[39,80,209,243],"pathways":[40,244],"between":[41],"them.":[42],"Several":[43],"strategies":[44],"have":[45],"recently":[46],"been":[47],"developed":[48],"to":[49,57,66,91,107,178,227,232],"drive":[50],"machine":[52,219],"learning":[53,220],"algorithm":[54],"AlphaFold2":[55],"(AF)":[56],"sample":[58,241],"multiple":[59],"conformations,":[60],"but":[61,238],"it":[62],"more":[64],"challenging":[65],"priori":[68],"predict":[69,233],"what":[70],"are":[72],"stabilized":[73],"particular":[75],"conditions":[76,174],"how":[78],"occurs.":[81],"Here,":[82],"we":[83,136],"combine":[84],"AF":[85,198],"sampling":[86,154,199],"with":[87],"small-angle":[88,114],"scattering":[89,116],"curves":[90],"obtain":[92],"weighted":[94],"ensemble":[96],"environmental":[102],"conditions.":[103],"We":[104],"apply":[105],"pentameric":[109],"ion":[110],"channel":[111],"GLIC":[112],"using":[113,155,193],"neutron":[115],"(SANS)":[117],"curves,":[118],"identify":[120],"apparent":[121],"closed":[122,142,161],"open":[124,145,163],"states.":[125],"By":[126],"comparing":[127],"experimental":[128,224],"SANS":[129],"data":[130,225],"resting":[132,171],"activating":[134,173],"can":[137],"quantify":[138],"subpopulation":[140],"channels":[143],"that":[144],"upon":[146],"activation,":[147],"matching":[148],"both":[149],"experiments":[150],"extensive":[152,214],"simulation":[153],"Markov":[156,188],"state":[157,189],"models.":[158,190],"predicted":[160,179],"closely":[165],"resemble":[166],"crystal":[167],"structures":[168],"determined":[169],"respectively,":[175],"project":[177],"basins":[180],"free":[182],"energy":[183],"landscapes":[184],"calculated":[185],"from":[186],"Further,":[191],"without":[192],"any":[194],"structural":[195],"information,":[196],"also":[200,239],"correctly":[201],"captures":[202],"intermediate":[203],"conformations":[204,237],"projects":[206],"onto":[207],"pathway":[210],"resolved":[211],"sampling.":[215,252],"This":[216],"combination":[217],"algorithms":[221],"low-dimensional":[223],"appears":[226],"provide":[228],"an":[229],"efficient":[230],"way":[231],"not":[234],"only":[235],"stable":[236],"accurately":[240],"several":[245],"orders":[246],"magnitude":[248],"faster":[249],"than":[250],"simulation-based":[251]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":2}],"updated_date":"2026-07-22T07:51:19.307946","created_date":"2025-10-10T00:00:00"}
