{"id":"https://openalex.org/W2055823413","doi":"https://doi.org/10.1371/journal.pcbi.1000484","title":"Computation of Conformational Coupling in Allosteric Proteins","display_name":"Computation of Conformational Coupling in Allosteric Proteins","publication_year":2009,"publication_date":"2009-08-27","ids":{"openalex":"https://openalex.org/W2055823413","doi":"https://doi.org/10.1371/journal.pcbi.1000484","mag":"2055823413","pmid":"https://pubmed.ncbi.nlm.nih.gov/19714199"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1000484","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1000484","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1000484&type=printable","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://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1000484&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5053941259","display_name":"Brian Kidd","orcid":"https://orcid.org/0000-0003-2110-1145"},"institutions":[{"id":"https://openalex.org/I201448701","display_name":"University of Washington","ror":"https://ror.org/00cvxb145","country_code":"US","type":"education","lineage":["https://openalex.org/I201448701"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Brian A. Kidd","raw_affiliation_strings":["Department of Bioengineering, University of Washington, Seattle, Washington, United States of America"],"affiliations":[{"raw_affiliation_string":"Department of Bioengineering, University of Washington, Seattle, Washington, United States of America","institution_ids":["https://openalex.org/I201448701"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053192926","display_name":"David Baker","orcid":"https://orcid.org/0000-0001-7896-6217"},"institutions":[{"id":"https://openalex.org/I201448701","display_name":"University of Washington","ror":"https://ror.org/00cvxb145","country_code":"US","type":"education","lineage":["https://openalex.org/I201448701"]},{"id":"https://openalex.org/I1344073410","display_name":"Howard Hughes Medical Institute","ror":"https://ror.org/006w34k90","country_code":"US","type":"facility","lineage":["https://openalex.org/I1344073410"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"David Baker","raw_affiliation_strings":["Department of Biochemistry, University of Washington, Seattle, Washington, United States of America","Howard Hughes Medical Institute, Seattle, Washington, United States of America"],"affiliations":[{"raw_affiliation_string":"Department of Biochemistry, University of Washington, Seattle, Washington, United States of America","institution_ids":["https://openalex.org/I201448701"]},{"raw_affiliation_string":"Howard Hughes Medical Institute, Seattle, Washington, United States of America","institution_ids":["https://openalex.org/I1344073410"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5051799220","display_name":"Wendy E. Thomas","orcid":"https://orcid.org/0000-0001-8602-0819"},"institutions":[{"id":"https://openalex.org/I201448701","display_name":"University of Washington","ror":"https://ror.org/00cvxb145","country_code":"US","type":"education","lineage":["https://openalex.org/I201448701"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Wendy E. Thomas","raw_affiliation_strings":["Department of Bioengineering, University of Washington, Seattle, Washington, United States of America"],"affiliations":[{"raw_affiliation_string":"Department of Bioengineering, University of Washington, Seattle, Washington, United States of America","institution_ids":["https://openalex.org/I201448701"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5051799220","https://openalex.org/A5053192926"],"corresponding_institution_ids":["https://openalex.org/I1344073410","https://openalex.org/I201448701"],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2655,"currency":"USD","value_usd":2655},"fwci":2.9657,"has_fulltext":true,"cited_by_count":63,"citation_normalized_percentile":{"value":0.9134205,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"5","issue":"8","first_page":"e1000484","last_page":"e1000484"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9991000294685364,"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":0.9991000294685364,"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/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9962000250816345,"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":0.9853000044822693,"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/allosteric-regulation","display_name":"Allosteric regulation","score":0.9800407886505127},{"id":"https://openalex.org/keywords/allosteric-enzyme","display_name":"Allosteric enzyme","score":0.7921379804611206},{"id":"https://openalex.org/keywords/effector","display_name":"Effector","score":0.6277180910110474},{"id":"https://openalex.org/keywords/protein-structure","display_name":"Protein structure","score":0.5204998850822449},{"id":"https://openalex.org/keywords/coupling","display_name":"Coupling (piping)","score":0.47147229313850403},{"id":"https://openalex.org/keywords/function","display_name":"Function (biology)","score":0.4496208429336548},{"id":"https://openalex.org/keywords/relaxation","display_name":"Relaxation (psychology)","score":0.44202157855033875},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4310087561607361},{"id":"https://openalex.org/keywords/structural-biology","display_name":"Structural biology","score":0.4237833321094513},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.37236613035202026},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.33106255531311035},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.23892301321029663},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.12178337574005127},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.0964440405368805},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.06181344389915466}],"concepts":[{"id":"https://openalex.org/C166342909","wikidata":"https://www.wikidata.org/wiki/Q845326","display_name":"Allosteric regulation","level":3,"score":0.9800407886505127},{"id":"https://openalex.org/C109964505","wikidata":"https://www.wikidata.org/wiki/Q3321436","display_name":"Allosteric enzyme","level":4,"score":0.7921379804611206},{"id":"https://openalex.org/C51785407","wikidata":"https://www.wikidata.org/wiki/Q2627568","display_name":"Effector","level":2,"score":0.6277180910110474},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.5204998850822449},{"id":"https://openalex.org/C131584629","wikidata":"https://www.wikidata.org/wiki/Q4308705","display_name":"Coupling (piping)","level":2,"score":0.47147229313850403},{"id":"https://openalex.org/C14036430","wikidata":"https://www.wikidata.org/wiki/Q3736076","display_name":"Function (biology)","level":2,"score":0.4496208429336548},{"id":"https://openalex.org/C2776029896","wikidata":"https://www.wikidata.org/wiki/Q3935810","display_name":"Relaxation (psychology)","level":2,"score":0.44202157855033875},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4310087561607361},{"id":"https://openalex.org/C191120209","wikidata":"https://www.wikidata.org/wiki/Q908902","display_name":"Structural biology","level":2,"score":0.4237833321094513},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.37236613035202026},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.33106255531311035},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.23892301321029663},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.12178337574005127},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.0964440405368805},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.06181344389915466},{"id":"https://openalex.org/C191897082","wikidata":"https://www.wikidata.org/wiki/Q11467","display_name":"Metallurgy","level":1,"score":0.0},{"id":"https://openalex.org/C78458016","wikidata":"https://www.wikidata.org/wiki/Q840400","display_name":"Evolutionary biology","level":1,"score":0.0},{"id":"https://openalex.org/C169760540","wikidata":"https://www.wikidata.org/wiki/Q207011","display_name":"Neuroscience","level":1,"score":0.0}],"mesh":[{"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":"D000495","descriptor_name":"Allosteric Site","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000495","descriptor_name":"Allosteric Site","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000495","descriptor_name":"Allosteric Site","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008962","descriptor_name":"Models, Theoretical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008962","descriptor_name":"Models, Theoretical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008962","descriptor_name":"Models, Theoretical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular 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":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"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":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","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":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D030562","descriptor_name":"Databases, Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":7,"locations":[{"id":"doi:10.1371/journal.pcbi.1000484","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1000484","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1000484&type=printable","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:19714199","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/19714199","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:CiteSeerX.psu:10.1.1.185.1580","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.185.1580","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://depts.washington.edu/bakerpg/drupal/system/files/kidd09A.pdf","raw_type":"text"},{"id":"pmh:oai:RePEc:plo:pcbi00:1000484","is_oa":false,"landing_page_url":"https://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1000484","pdf_url":null,"source":{"id":"https://openalex.org/S4306401271","display_name":"RePEc: Research Papers in Economics","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I77793887","host_organization_name":"Federal Reserve Bank of St. Louis","host_organization_lineage":["https://openalex.org/I77793887"],"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":"article"},{"id":"pmh:oai:doaj.org/article:3e4bf74221484c5fa3b372ae48389ff3","is_oa":true,"landing_page_url":"https://doaj.org/article/3e4bf74221484c5fa3b372ae48389ff3","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"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 5, Iss 8, p e1000484 (2009)","raw_type":"article"},{"id":"pmh:oai:figshare.com:article/146558","is_oa":true,"landing_page_url":"https://figshare.com/articles/dataset/Computation_of_Conformational_Coupling_in_Allosteric_Proteins/146558","pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"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":"","raw_type":"Dataset"},{"id":"pmh:oai:pubmedcentral.nih.gov:2720451","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2720451","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.1000484","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1000484","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1000484&type=printable","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":[{"score":0.550000011920929,"id":"https://metadata.un.org/sdg/15","display_name":"Life in Land"}],"awards":[{"id":"https://openalex.org/G2489603864","display_name":"IGERT:  Building Leadership for the Nanotechnology Workforce of Tomorrow","funder_award_id":"0504573","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G8164471825","display_name":null,"funder_award_id":"IGERT","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"},{"id":"https://openalex.org/G8828038975","display_name":null,"funder_award_id":"DGE-0504573","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"},{"id":"https://openalex.org/F4320306082","display_name":"Howard Hughes Medical Institute","ror":"https://ror.org/006w34k90"},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2055823413.pdf","grobid_xml":"https://content.openalex.org/works/W2055823413.grobid-xml"},"referenced_works_count":64,"referenced_works":["https://openalex.org/W1548178570","https://openalex.org/W1759163394","https://openalex.org/W1832233083","https://openalex.org/W1963502026","https://openalex.org/W1965841931","https://openalex.org/W1987070043","https://openalex.org/W1991438329","https://openalex.org/W1998093640","https://openalex.org/W1998171084","https://openalex.org/W1998367993","https://openalex.org/W2005392755","https://openalex.org/W2016575278","https://openalex.org/W2017428798","https://openalex.org/W2022623262","https://openalex.org/W2026911129","https://openalex.org/W2028717691","https://openalex.org/W2035445202","https://openalex.org/W2046912614","https://openalex.org/W2053004995","https://openalex.org/W2053197719","https://openalex.org/W2056918351","https://openalex.org/W2061579713","https://openalex.org/W2063559096","https://openalex.org/W2067484689","https://openalex.org/W2074129172","https://openalex.org/W2079064092","https://openalex.org/W2082634075","https://openalex.org/W2085277871","https://openalex.org/W2086316973","https://openalex.org/W2088718376","https://openalex.org/W2089935734","https://openalex.org/W2091060891","https://openalex.org/W2092006899","https://openalex.org/W2096962761","https://openalex.org/W2097412382","https://openalex.org/W2097980499","https://openalex.org/W2105041993","https://openalex.org/W2108141139","https://openalex.org/W2112451232","https://openalex.org/W2114722763","https://openalex.org/W2115152262","https://openalex.org/W2118733486","https://openalex.org/W2129472062","https://openalex.org/W2130479394","https://openalex.org/W2133779873","https://openalex.org/W2141149388","https://openalex.org/W2142454421","https://openalex.org/W2148745348","https://openalex.org/W2149744037","https://openalex.org/W2154106236","https://openalex.org/W2155185154","https://openalex.org/W2158851748","https://openalex.org/W2159304854","https://openalex.org/W2164130591","https://openalex.org/W2164831247","https://openalex.org/W2168107543","https://openalex.org/W2170117113","https://openalex.org/W2327875936","https://openalex.org/W2801348287","https://openalex.org/W2981264952","https://openalex.org/W4210898159","https://openalex.org/W4253466495","https://openalex.org/W4289259613","https://openalex.org/W6806740603"],"related_works":["https://openalex.org/W2049682677","https://openalex.org/W2463850709","https://openalex.org/W2034301964","https://openalex.org/W2751232480","https://openalex.org/W3164888202","https://openalex.org/W1982170406","https://openalex.org/W2333603516","https://openalex.org/W2088091011","https://openalex.org/W5024670","https://openalex.org/W2051337563"],"abstract_inverted_index":{"In":[0],"allosteric":[1,42,93,136],"regulation,":[2],"an":[3],"effector":[4,61],"molecule":[5],"binding":[6],"a":[7,21],"protein":[8],"at":[9,20],"one":[10,41,160],"site":[11],"induces":[12],"conformational":[13,57],"changes,":[14],"which":[15],"alter":[16],"structure":[17,39,47,75],"and":[18,51,62,132],"function":[19],"distant":[22],"active":[23,63],"site.":[24],"Two":[25],"key":[26],"challenges":[27,70],"in":[28,122],"the":[29,35,38,46,49,53,56,60,72,81,85,96,115,129,134,140],"computational":[30],"modeling":[31],"of":[32,37,40,48,59,87,90,114,120,125,147,152],"allostery":[33],"are":[34,142,155],"prediction":[36,76],"state":[43],"starting":[44],"from":[45,145],"other,":[50],"elucidating":[52],"mechanisms":[54],"underlying":[55],"coupling":[58,116],"sites.":[64],"Here":[65],"we":[66],"approach":[67],"these":[68],"two":[69,135],"using":[71],"Rosetta":[73],"high-resolution":[74],"methodology.":[77],"We":[78],"find":[79],"that":[80,139,154],"method":[82],"can":[83],"recapitulate":[84],"relaxation":[86],"effector-bound":[88],"forms":[89],"single":[91],"domain":[92],"proteins":[94],"into":[95],"corresponding":[97],"ligand-free":[98],"states,":[99],"particularly":[100],"when":[101],"sampling":[102],"is":[103],"focused":[104],"on":[105],"regions":[106],"known":[107],"to":[108,159],"change":[109],"conformation":[110],"most":[111],"significantly.":[112],"Analysis":[113],"between":[117,131],"contacting":[118],"pairs":[119],"residues":[121,153],"large":[123],"ensembles":[124],"conformations":[126],"spread":[127],"throughout":[128],"landscape":[130],"around":[133],"states":[137],"suggests":[138],"transitions":[141],"built":[143],"up":[144],"blocks":[146],"tightly":[148],"coupled":[149,158],"interacting":[150],"sets":[151],"more":[156],"loosely":[157],"another.":[161]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2022,"cited_by_count":11},{"year":2021,"cited_by_count":2},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":4},{"year":2014,"cited_by_count":5},{"year":2013,"cited_by_count":10},{"year":2012,"cited_by_count":8}],"updated_date":"2026-04-21T08:09:41.155169","created_date":"2025-10-10T00:00:00"}