{"id":"https://openalex.org/W4295757322","doi":"https://doi.org/10.1021/acs.jcim.2c00595","title":"All-Atom Simulations Uncover Structural and Dynamical Properties of STING Proteins in the Membrane System","display_name":"All-Atom Simulations Uncover Structural and Dynamical Properties of STING Proteins in the Membrane System","publication_year":2022,"publication_date":"2022-09-14","ids":{"openalex":"https://openalex.org/W4295757322","doi":"https://doi.org/10.1021/acs.jcim.2c00595","pmid":"https://pubmed.ncbi.nlm.nih.gov/36103256"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.2c00595","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00595","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.osti.gov/servlets/purl/1960408","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5043325614","display_name":"Rachel Payne","orcid":"https://orcid.org/0000-0003-1805-7809"},"institutions":[{"id":"https://openalex.org/I111088046","display_name":"Boston University","ror":"https://ror.org/05qwgg493","country_code":"US","type":"education","lineage":["https://openalex.org/I111088046"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Rachel T. Payne","raw_affiliation_strings":["Boston University, Boston, Massachusetts02215, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Boston University, Boston, Massachusetts02215, United States","institution_ids":["https://openalex.org/I111088046"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009354743","display_name":"Silvia Crivelli","orcid":"https://orcid.org/0000-0003-1919-1890"},"institutions":[{"id":"https://openalex.org/I148283060","display_name":"Lawrence Berkeley National Laboratory","ror":"https://ror.org/02jbv0t02","country_code":"US","type":"facility","lineage":["https://openalex.org/I1330989302","https://openalex.org/I148283060","https://openalex.org/I39565521"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Silvia Crivelli","raw_affiliation_strings":["Lawrence Berkeley National Laboratory, Berkeley, California94720, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Lawrence Berkeley National Laboratory, Berkeley, California94720, United States","institution_ids":["https://openalex.org/I148283060"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5067973760","display_name":"Masakatsu Watanabe","orcid":"https://orcid.org/0000-0001-8901-4772"},"institutions":[{"id":"https://openalex.org/I91083438","display_name":"Fort Hays State University","ror":"https://ror.org/00rwzgx62","country_code":"US","type":"education","lineage":["https://openalex.org/I91083438"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Masakatsu Watanabe","raw_affiliation_strings":["Department of Chemistry, Fort Hays State University, Hays, Kansas67601, United States"],"raw_orcid":"https://orcid.org/0000-0001-8901-4772","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Fort Hays State University, Hays, Kansas67601, United States","institution_ids":["https://openalex.org/I91083438"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5067973760"],"corresponding_institution_ids":["https://openalex.org/I91083438"],"apc_list":null,"apc_paid":null,"fwci":0.3407,"has_fulltext":true,"cited_by_count":4,"citation_normalized_percentile":{"value":0.55108992,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":97},"biblio":{"volume":"62","issue":"18","first_page":"4486","last_page":"4499"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11668","display_name":"interferon and immune responses","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2403","display_name":"Immunology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T11668","display_name":"interferon and immune responses","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2403","display_name":"Immunology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12047","display_name":"Viral Infections and Vectors","score":0.9990000128746033,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T11581","display_name":"Viral Infections and Outbreaks Research","score":0.9919000267982483,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/sting","display_name":"Sting","score":0.8986928462982178},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.5279659032821655},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.49765971302986145},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.49238884449005127},{"id":"https://openalex.org/keywords/stimulator-of-interferon-genes","display_name":"Stimulator of interferon genes","score":0.480256587266922},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.41237926483154297},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.34351015090942383},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2687879204750061},{"id":"https://openalex.org/keywords/innate-immune-system","display_name":"Innate immune system","score":0.26639360189437866},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.18110331892967224},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.17052757740020752},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.16812261939048767},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.10575446486473083}],"concepts":[{"id":"https://openalex.org/C2779300339","wikidata":"https://www.wikidata.org/wiki/Q7617409","display_name":"Sting","level":2,"score":0.8986928462982178},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5279659032821655},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.49765971302986145},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.49238884449005127},{"id":"https://openalex.org/C2777349159","wikidata":"https://www.wikidata.org/wiki/Q18055374","display_name":"Stimulator of interferon genes","level":4,"score":0.480256587266922},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.41237926483154297},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.34351015090942383},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2687879204750061},{"id":"https://openalex.org/C136449434","wikidata":"https://www.wikidata.org/wiki/Q428253","display_name":"Innate immune system","level":3,"score":0.26639360189437866},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.18110331892967224},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.17052757740020752},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.16812261939048767},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.10575446486473083},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000099197","descriptor_name":"STING Protein","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004220","descriptor_name":"Disulfides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004220","descriptor_name":"Disulfides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004220","descriptor_name":"Disulfides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007370","descriptor_name":"Interferon Type I","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D007370","descriptor_name":"Interferon Type I","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D007370","descriptor_name":"Interferon Type I","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008565","descriptor_name":"Membrane Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":5,"locations":[{"id":"doi:10.1021/acs.jcim.2c00595","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.2c00595","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:36103256","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36103256","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":"Journal of chemical information and modeling","raw_type":null},{"id":"pmh:oai:osti.gov:1960408","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1960408","pdf_url":"https://www.osti.gov/servlets/purl/1960408","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"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":null},{"id":"pmh:oai:pubmedcentral.nih.gov:10246352","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10246352","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10246352/pdf/nihms-1892118.pdf","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"},{"id":"pmh:oai:escholarship.org:ark:/13030/qt70j1c5js","is_oa":true,"landing_page_url":"https://escholarship.org/uc/item/70j1c5js","pdf_url":null,"source":{"id":"https://openalex.org/S4306400115","display_name":"eScholarship (California Digital Library)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I2801248553","host_organization_name":"California Digital Library","host_organization_lineage":["https://openalex.org/I2801248553"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Chemical Information and Modeling, vol 62, iss 18","raw_type":"article"}],"best_oa_location":{"id":"pmh:oai:osti.gov:1960408","is_oa":true,"landing_page_url":"https://www.osti.gov/biblio/1960408","pdf_url":"https://www.osti.gov/servlets/purl/1960408","source":{"id":"https://openalex.org/S4306402487","display_name":"OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I139351228","host_organization_name":"Office of Scientific and Technical Information","host_organization_lineage":["https://openalex.org/I139351228"],"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":null},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1384702656","display_name":null,"funder_award_id":"RR016475","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G2595756195","display_name":null,"funder_award_id":"P20 RR016475","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G2921881625","display_name":null,"funder_award_id":"P20 GM103418","funder_id":"https://openalex.org/F4320318255","funder_display_name":"Kansas IDeA Network of Biomedical Research Excellence"},{"id":"https://openalex.org/G4898776973","display_name":null,"funder_award_id":"P20 GM103418","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G6955080319","display_name":null,"funder_award_id":"P20 RR016475","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G7135883724","display_name":null,"funder_award_id":"GM103418","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"},{"id":"https://openalex.org/G7224035656","display_name":null,"funder_award_id":"P20 GM103418","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G7285114270","display_name":null,"funder_award_id":"GM103418","funder_id":"https://openalex.org/F4320318255","funder_display_name":"Kansas IDeA Network of Biomedical Research Excellence"},{"id":"https://openalex.org/G8660503545","display_name":null,"funder_award_id":"GM103418","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320306084","display_name":"U.S. Department of Energy","ror":"https://ror.org/01bj3aw27"},{"id":"https://openalex.org/F4320317220","display_name":"National Energy Research Scientific Computing Center","ror":"https://ror.org/05v3mvq14"},{"id":"https://openalex.org/F4320318255","display_name":"Kansas IDeA Network of Biomedical Research Excellence","ror":null},{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"},{"id":"https://openalex.org/F4320332359","display_name":"Office of Science","ror":"https://ror.org/00mmn6b08"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"},{"id":"https://openalex.org/F4320337513","display_name":"Workforce Development for Teachers and Scientists","ror":"https://ror.org/05msy3529"},{"id":"https://openalex.org/F4320338292","display_name":"Lawrence Berkeley National Laboratory","ror":"https://ror.org/02jbv0t02"}],"has_content":{"pdf":true,"grobid_xml":false},"content_urls":{"pdf":"https://content.openalex.org/works/W4295757322.pdf"},"referenced_works_count":49,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1607931568","https://openalex.org/W1978808508","https://openalex.org/W1999613945","https://openalex.org/W2029667189","https://openalex.org/W2035266068","https://openalex.org/W2035687084","https://openalex.org/W2047365750","https://openalex.org/W2057477511","https://openalex.org/W2060079863","https://openalex.org/W2064554825","https://openalex.org/W2066818317","https://openalex.org/W2070753604","https://openalex.org/W2081693079","https://openalex.org/W2083147016","https://openalex.org/W2088157683","https://openalex.org/W2097356092","https://openalex.org/W2108376320","https://openalex.org/W2109154308","https://openalex.org/W2116527093","https://openalex.org/W2123182960","https://openalex.org/W2128572087","https://openalex.org/W2134762386","https://openalex.org/W2139721558","https://openalex.org/W2144288821","https://openalex.org/W2144652247","https://openalex.org/W2150715314","https://openalex.org/W2153856953","https://openalex.org/W2162751934","https://openalex.org/W2170295495","https://openalex.org/W2206954826","https://openalex.org/W2408788715","https://openalex.org/W2782762980","https://openalex.org/W2898119186","https://openalex.org/W2919704769","https://openalex.org/W2919896467","https://openalex.org/W2942276193","https://openalex.org/W2950889989","https://openalex.org/W2957978293","https://openalex.org/W2989447712","https://openalex.org/W3007626908","https://openalex.org/W3035688557","https://openalex.org/W3046468150","https://openalex.org/W3136220939","https://openalex.org/W3141471971","https://openalex.org/W3171961381","https://openalex.org/W3173607132","https://openalex.org/W3206826420","https://openalex.org/W4211196614"],"related_works":["https://openalex.org/W3126978432","https://openalex.org/W3166330342","https://openalex.org/W4390769890","https://openalex.org/W3126746996","https://openalex.org/W4390616119","https://openalex.org/W2623097481","https://openalex.org/W1976325516","https://openalex.org/W2074505789","https://openalex.org/W4360862793","https://openalex.org/W4286504551"],"abstract_inverted_index":{"Recent":[0],"studies":[1],"have":[2],"shown":[3],"that":[4,43,204,217],"the":[5,17,22,109,125,128,137,140,146,156,164,175,181,193,201,219,225,229,236],"stimulator":[6],"of":[7,24,39,76,106,127,174,188,196,228,240],"interferon":[8],"gene":[9],"(STING)":[10],"protein":[11],"plays":[12],"a":[13,36,45],"central":[14],"role":[15],"in":[16,28,108,145,155,163,192],"immune":[18,48],"system":[19,111],"by":[20,112,132],"facilitating":[21],"production":[23],"type":[25],"I":[26],"interferons":[27],"cells.":[29],"The":[30,185],"STING":[31,90,107,129,158,166,170,183,212],"signaling":[32,52,130],"pathway":[33,131],"is":[34,222],"also":[35,215],"prominent":[37],"activator":[38],"cancer-killing":[40],"T":[41],"cells":[42],"initiate":[44],"powerful":[46],"adaptive":[47],"response.":[49],"Since":[50],"biomolecular":[51],"pathways":[53],"are":[54,149],"complicated":[55],"and":[56,73,88,92,101,116],"not":[57,199],"easily":[58],"identified":[59],"through":[60],"traditional":[61],"experiments,":[62],"molecular":[63],"dynamics":[64],"(MD)":[65],"has":[66],"often":[67],"been":[68],"used":[69],"to":[70,152,180],"study":[71],"structural":[72],"dynamical":[74,117,186],"responses":[75],"biological":[77],"pathways.":[78],"Here,":[79],"we":[80,96],"carried":[81],"out":[82],"MD":[83,226],"simulations":[84,227],"for":[85,123,136],"full-length":[86,220],"chicken":[87],"human":[89],"(chSTING":[91],"hSTING)":[93],"proteins.":[94],"Specifically,":[95],"investigated":[97],"ligand-bound":[98],"closed":[99,165,169],"(holo)":[100],"ligand-unbound":[102],"open":[103,157,182],"(apo)":[104],"forms":[105],"membrane":[110],"comparing":[113],"their":[114],"conformational":[115,238],"differences.":[118],"Our":[119],"research":[120],"provides":[121],"clues":[122],"understanding":[124],"mechanism":[126],"uncovering":[133],"detailed":[134],"insights":[135],"examined":[138],"systems:":[139],"residues":[141],"from":[142],"each":[143],"chain":[144],"binding":[147],"pocket":[148],"strongly":[150],"correlated":[151],"one":[153],"another":[154],"structure":[159],"compared":[160],"with":[161],"those":[162],"structure.":[167,184],"Ligand-bound":[168],"displays":[171],"\u223c174\u00b0":[172],"rotation":[173],"ligand-binding":[176],"domain":[177],"(LBD)":[178],"relative":[179],"analysis":[187],"residue":[189],"Cys148":[190,205],"located":[191],"linker":[194],"region":[195],"hSTING":[197],"does":[198],"support":[200],"earlier":[202],"hypothesis":[203],"can":[206],"form":[207],"disulfide":[208],"bonds":[209],"between":[210],"adjacent":[211],"dimers.":[213],"We":[214],"demonstrate":[216],"using":[218],"proteins":[221],"critical,":[223],"since":[224],"LBD":[230],"portion":[231],"alone":[232],"cannot":[233],"properly":[234],"describe":[235],"global":[237],"properties":[239],"STING.":[241]},"counts_by_year":[{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":1}],"updated_date":"2026-06-07T08:38:57.713557","created_date":"2025-10-10T00:00:00"}
