{"id":"https://openalex.org/W2288312813","doi":"https://doi.org/10.1371/journal.pcbi.1004678","title":"Structure-Based Statistical Mechanical Model Accounts for the Causality and Energetics of Allosteric Communication","display_name":"Structure-Based Statistical Mechanical Model Accounts for the Causality and Energetics of Allosteric Communication","publication_year":2016,"publication_date":"2016-03-03","ids":{"openalex":"https://openalex.org/W2288312813","doi":"https://doi.org/10.1371/journal.pcbi.1004678","mag":"2288312813","pmid":"https://pubmed.ncbi.nlm.nih.gov/26939022"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1004678","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1004678","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1004678&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.1004678&type=printable","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5027944993","display_name":"Enrico Guarnera","orcid":"https://orcid.org/0000-0002-6780-3313"},"institutions":[{"id":"https://openalex.org/I4210148498","display_name":"Bioinformatics Institute","ror":"https://ror.org/044w3nw43","country_code":"SG","type":"facility","lineage":["https://openalex.org/I115228651","https://openalex.org/I2801752549","https://openalex.org/I4210148498"]},{"id":"https://openalex.org/I115228651","display_name":"Agency for Science, Technology and Research","ror":"https://ror.org/036wvzt09","country_code":"SG","type":"government","lineage":["https://openalex.org/I115228651"]}],"countries":["SG"],"is_corresponding":false,"raw_author_name":"Enrico Guarnera","raw_affiliation_strings":["Bioinformatics Institute (BII), Agency for Science, Technology and Research (ASTAR), Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics Institute (BII), Agency for Science, Technology and Research (ASTAR), Singapore","institution_ids":["https://openalex.org/I115228651","https://openalex.org/I4210148498"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5033504184","display_name":"Igor N. Berezovsky","orcid":"https://orcid.org/0000-0002-3315-8483"},"institutions":[{"id":"https://openalex.org/I115228651","display_name":"Agency for Science, Technology and Research","ror":"https://ror.org/036wvzt09","country_code":"SG","type":"government","lineage":["https://openalex.org/I115228651"]},{"id":"https://openalex.org/I165932596","display_name":"National University of Singapore","ror":"https://ror.org/01tgyzw49","country_code":"SG","type":"education","lineage":["https://openalex.org/I165932596"]},{"id":"https://openalex.org/I4210148498","display_name":"Bioinformatics Institute","ror":"https://ror.org/044w3nw43","country_code":"SG","type":"facility","lineage":["https://openalex.org/I115228651","https://openalex.org/I2801752549","https://openalex.org/I4210148498"]}],"countries":["SG"],"is_corresponding":true,"raw_author_name":"Igor N. Berezovsky","raw_affiliation_strings":["Bioinformatics Institute (BII), Agency for Science, Technology and Research (ASTAR), Singapore","Department of Biological Sciences (DBS), National University of Singapore (NUS), Singapore"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bioinformatics Institute (BII), Agency for Science, Technology and Research (ASTAR), Singapore","institution_ids":["https://openalex.org/I115228651","https://openalex.org/I4210148498"]},{"raw_affiliation_string":"Department of Biological Sciences (DBS), National University of Singapore (NUS), Singapore","institution_ids":["https://openalex.org/I165932596"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5033504184"],"corresponding_institution_ids":["https://openalex.org/I115228651","https://openalex.org/I165932596","https://openalex.org/I4210148498"],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2655,"currency":"USD","value_usd":2655},"fwci":6.9643,"has_fulltext":true,"cited_by_count":141,"citation_normalized_percentile":{"value":0.97359264,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"12","issue":"3","first_page":"e1004678","last_page":"e1004678"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9997000098228455,"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":0.9997000098228455,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9993000030517578,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T13539","display_name":"thermodynamics and calorimetric analyses","score":0.9976999759674072,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"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":0.9557379484176636},{"id":"https://openalex.org/keywords/allosteric-enzyme","display_name":"Allosteric enzyme","score":0.6831936836242676},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4389355182647705},{"id":"https://openalex.org/keywords/living-systems","display_name":"Living systems","score":0.43483906984329224},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.3989524245262146},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.38414815068244934},{"id":"https://openalex.org/keywords/statistical-physics","display_name":"Statistical physics","score":0.3477354645729065},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3135617971420288},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.2627583146095276},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2421378791332245},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2403378188610077},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.10373669862747192},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.08919104933738708}],"concepts":[{"id":"https://openalex.org/C166342909","wikidata":"https://www.wikidata.org/wiki/Q845326","display_name":"Allosteric regulation","level":3,"score":0.9557379484176636},{"id":"https://openalex.org/C109964505","wikidata":"https://www.wikidata.org/wiki/Q3321436","display_name":"Allosteric enzyme","level":4,"score":0.6831936836242676},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4389355182647705},{"id":"https://openalex.org/C2776184637","wikidata":"https://www.wikidata.org/wiki/Q6506039","display_name":"Living systems","level":2,"score":0.43483906984329224},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.3989524245262146},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.38414815068244934},{"id":"https://openalex.org/C121864883","wikidata":"https://www.wikidata.org/wiki/Q677916","display_name":"Statistical physics","level":1,"score":0.3477354645729065},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3135617971420288},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.2627583146095276},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2421378791332245},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2403378188610077},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.10373669862747192},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.08919104933738708}],"mesh":[{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000494","descriptor_name":"Allosteric Regulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004735","descriptor_name":"Energy Transfer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004735","descriptor_name":"Energy Transfer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004735","descriptor_name":"Energy Transfer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004789","descriptor_name":"Enzyme Activation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004789","descriptor_name":"Enzyme Activation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004789","descriptor_name":"Enzyme Activation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004798","descriptor_name":"Enzymes","qualifier_ui":"Q000648","qualifier_name":"ultrastructure","is_major_topic":false},{"descriptor_ui":"D004798","descriptor_name":"Enzymes","qualifier_ui":"Q000648","qualifier_name":"ultrastructure","is_major_topic":false},{"descriptor_ui":"D004798","descriptor_name":"Enzymes","qualifier_ui":"Q000648","qualifier_name":"ultrastructure","is_major_topic":false},{"descriptor_ui":"D004798","descriptor_name":"Enzymes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004798","descriptor_name":"Enzymes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004798","descriptor_name":"Enzymes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","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":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013816","descriptor_name":"Thermodynamics","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":true},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015233","descriptor_name":"Models, Statistical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":6,"locations":[{"id":"doi:10.1371/journal.pcbi.1004678","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1004678","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1004678&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:26939022","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/26939022","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:scholarbank.nus.edu.sg:10635/161920","is_oa":true,"landing_page_url":"https://scholarbank.nus.edu.sg/handle/10635/161920","pdf_url":null,"source":{"id":"https://openalex.org/S7407052290","display_name":"National University of Singapore","issn_l":null,"issn":[],"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","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Unpaywall 20191101","raw_type":"Article"},{"id":"pmh:oai:doaj.org/article:a9ef5be6ff804e7bb123e7dbf4de5792","is_oa":true,"landing_page_url":"https://doaj.org/article/a9ef5be6ff804e7bb123e7dbf4de5792","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 12, Iss 3, p e1004678 (2016)","raw_type":"article"},{"id":"pmh:oai:europepmc.org:3758455","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4777440","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"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":null,"raw_type":"Text"},{"id":"pmh:oai:figshare.com:article/3097324","is_oa":true,"landing_page_url":"https://figshare.com/articles/dataset/Structure_Based_Statistical_Mechanical_Model_Accounts_for_the_Causality_and_Energetics_of_Allosteric_Communication/3097324","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"}],"best_oa_location":{"id":"doi:10.1371/journal.pcbi.1004678","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1004678","pdf_url":"https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1004678&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":[{"id":"https://metadata.un.org/sdg/16","score":0.5199999809265137,"display_name":"Peace, Justice and strong institutions"},{"id":"https://metadata.un.org/sdg/10","score":0.49000000953674316,"display_name":"Reduced inequalities"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2288312813.pdf"},"referenced_works_count":55,"referenced_works":["https://openalex.org/W1585041126","https://openalex.org/W1965082449","https://openalex.org/W1968407616","https://openalex.org/W1971398697","https://openalex.org/W1975757940","https://openalex.org/W1977258623","https://openalex.org/W1984965754","https://openalex.org/W1989563793","https://openalex.org/W1993187009","https://openalex.org/W1994621063","https://openalex.org/W1997486650","https://openalex.org/W1998093640","https://openalex.org/W2003412353","https://openalex.org/W2005392755","https://openalex.org/W2007659094","https://openalex.org/W2011669324","https://openalex.org/W2014252415","https://openalex.org/W2018748094","https://openalex.org/W2020118170","https://openalex.org/W2026618264","https://openalex.org/W2035503835","https://openalex.org/W2037787959","https://openalex.org/W2040355223","https://openalex.org/W2049661341","https://openalex.org/W2049682677","https://openalex.org/W2050643839","https://openalex.org/W2054017160","https://openalex.org/W2061463182","https://openalex.org/W2064491541","https://openalex.org/W2065927292","https://openalex.org/W2068128475","https://openalex.org/W2069777230","https://openalex.org/W2076249828","https://openalex.org/W2076502861","https://openalex.org/W2077912217","https://openalex.org/W2079048722","https://openalex.org/W2083975423","https://openalex.org/W2088916951","https://openalex.org/W2094277550","https://openalex.org/W2094795801","https://openalex.org/W2096962761","https://openalex.org/W2115152262","https://openalex.org/W2115249381","https://openalex.org/W2129884882","https://openalex.org/W2133442550","https://openalex.org/W2134509982","https://openalex.org/W2134742468","https://openalex.org/W2138008040","https://openalex.org/W2154249927","https://openalex.org/W2156964989","https://openalex.org/W2158528359","https://openalex.org/W2164897290","https://openalex.org/W2169632594","https://openalex.org/W2195592873","https://openalex.org/W2885134480"],"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/W2088091011","https://openalex.org/W2333603516","https://openalex.org/W5024670","https://openalex.org/W4220959342"],"abstract_inverted_index":{"Allostery":[0],"is":[1,138,225],"one":[2,51],"of":[3,24,32,38,48,55,74,84,90,119,135,144,168,178,186,192,197,207,211,217],"the":[4,25,33,72,82,107,116,128,142,148,166,179,205,215,231,241,252],"pervasive":[5],"mechanisms":[6],"through":[7],"which":[8,249],"proteins":[9],"in":[10,81,123,147,190,214,229,255],"living":[11],"systems":[12,80],"carry":[13],"out":[14],"enzymatic":[15],"activity,":[16],"cell":[17],"signaling,":[18],"and":[19,35,59,62,77,96,151,195,209,220,239,246],"metabolism":[20],"control.":[21],"Effective":[22],"modeling":[23],"protein":[26],"function":[27],"regulation":[28],"requires":[29],"a":[30,43,85,112,124,136,156,161,173,184,226],"synthesis":[31],"thermodynamic":[34],"structural":[36],"views":[37],"allostery.":[39],"We":[40],"present":[41],"here":[42],"structure-based":[44],"statistical":[45,125],"mechanical":[46,126],"model":[47,224],"allostery,":[49],"allowing":[50],"to":[52,63,115,131],"observe":[53],"causality":[54,219],"communication":[56,170],"between":[57,244],"regulatory":[58],"functional":[60],"sites,":[61],"estimate":[64],"per":[65],"residue":[66,113,137],"free":[67,76,133,150,201],"energy":[68,134,202],"changes.":[69],"Based":[70],"on":[71,111,172,183],"consideration":[73],"ligand":[75,78,149,152],"bound":[79,153],"context":[83],"harmonic":[86],"model,":[87],"corresponding":[88],"sets":[89],"characteristic":[91],"normal":[92],"modes":[93],"are":[94,250],"obtained":[95],"used":[97],"as":[98],"inputs":[99],"for":[100,164],"an":[101],"allosteric":[102,132,169,187,200,218,237,256],"potential.":[103],"This":[104],"potential":[105],"quantifies":[106],"mean":[108],"work":[109],"exerted":[110],"due":[114],"local":[117],"motion":[118],"its":[120],"neighbors.":[121],"Subsequently,":[122],"framework":[127],"entropic":[129],"contribution":[130],"directly":[139],"calculated":[140],"from":[141],"comparison":[143],"conformational":[145],"ensembles":[146],"systems.":[154],"As":[155],"result,":[157],"this":[158],"method":[159],"provides":[160],"systematic":[162],"approach":[163,180],"analyzing":[165],"energetics":[167],"based":[171],"single":[174],"structure.":[175],"The":[176,199,222],"feasibility":[177],"was":[181],"tested":[182],"variety":[185],"proteins,":[188],"heterogeneous":[189],"terms":[191],"size,":[193],"topology":[194],"degree":[196],"oligomerization.":[198],"calculations":[203],"show":[204],"diversity":[206],"ways":[208],"complexity":[210],"scenarios":[212],"existing":[213],"phenomenology":[216],"communication.":[221],"presented":[223],"step":[227],"forward":[228],"developing":[230],"computational":[232],"techniques":[233],"aimed":[234],"at":[235],"detecting":[236],"sites":[238],"obtaining":[240],"discriminative":[242],"power":[243],"agonistic":[245],"antagonistic":[247],"effectors,":[248],"among":[251],"major":[253],"goals":[254],"drug":[257],"design.":[258]},"counts_by_year":[{"year":2026,"cited_by_count":7},{"year":2025,"cited_by_count":19},{"year":2024,"cited_by_count":11},{"year":2023,"cited_by_count":8},{"year":2022,"cited_by_count":18},{"year":2021,"cited_by_count":20},{"year":2020,"cited_by_count":18},{"year":2019,"cited_by_count":15},{"year":2018,"cited_by_count":10},{"year":2017,"cited_by_count":8},{"year":2016,"cited_by_count":7}],"updated_date":"2026-06-24T13:16:06.693445","created_date":"2025-10-10T00:00:00"}