{“id”:“https://openalex.org/W2917062059“,”doi“:”https://doi.org/10.1007/s10822-019-00193-0“,”title“:“通过分子动力学模拟和MM/GBSA方法评估三种白藜芦醇与SIRT1结合的性能:白藜芦》3与SIRTl结合最弱,引发了从其结合位点分离的可能性”,“display_name”:“通过分子动力学模拟和MM/GBSA方法评估三种白藜芦醇与SIRT1结合的性能:白藜芦》3与SIRTl结合最弱,引发其结合位点分离的可能性“,”publication_year“:2019,”publitation_date“:2019-02-25”,”ids“:{”openalex“:”https://openalex.org/W2917062059“,”doi“:”https://doi.org/10.1007/s10822-019-00193-0“,”mag“:”2917062059“,”pmid“:”https://pubmed.ncbi.nlm.nih.gov/30805760“},”language“:”en“,”primary_location“:{”is_oa“:true,”landing_page_url“:”https://doi.org/10.1007/s10822-019-00193-0,“pdf_url”:https://link.springer.com/content/pdf/10.1007/s10822-019-00193-0.pdf,“源”:{“id”:https://openalex.org/S64621741“,”display_name“:”计算机辅助分子设计杂志“,”issn_l“:”0920-654X“,”isn“:[”0920-6504X“、”1573-4951“],”is_oa“:false,”is-in_doaj“:false,”is_core“:true,”host_organization“:”https://openalex.org/P4310318900“,”“host_organization_name”:“Springer Science+Business Media”,“host_organization_lineage”:[“https://openalex.org/P4310319965","https://openalex.org/P4310318900“],”host_organization_lineage_names“:[”Springer Nature“,”Springer-Science+Business Media“],“type”:“journal”},“license”:null,“licence_id”:nul,“version”:“publishedVersion”,“is_accepted”:true,“is_published”:true},”type“:“article”,“type_crossref”:”journal-article“,”indexed_in“:[“crossref”,“publimed”],“open_access”:{“is_oa”:true,“oa_stat”美国“:”铜牌“,”oaurl“:”https://link.springer.com/content/pdf/10.1007/s10822-019-00193-0.pdf“,”any_repository_has_fulltext“:false},”authorships“:[{”author_position“:”第一“,”作者“:{”id“:”https://openalex.org/A5004586541“,”display_name“:”Han Chen“,”orcid“:”https://orcid.org/0000-0002-6529-0243“},”机构“:[{”id“:”https://openalex.org/I177388780“,”display_name“:”徐州医学院“,”ror“:”https://ror.org/04fe7hy80“,”country_code“:”CN“,”type“:“教育”,”世系“:[”https://openalex.org/I177388780“]}],”国家“:[”CN“],”is_corresponding“:false,”raw_author_name“:”Han Chen“,”rau_affiliation_strings“:[“徐州医科大学江苏省新药研究与临床药学重点实验室,徐州,221004,江苏,2019s Republic”],“affiliations”:[{“raw_affilition_string”:“徐州医科大学江苏省新药研究与临床药学重点实验室,徐州,221004,江苏,2019s Republic”,“institution_ids”:[“https://openalex.org/I177388780“]}]},{”author_position“:”middle“,”author“:{”id“:”https://openalex.org/A5029045124“,”display_name“:”阎王“,”兽人“:”https://orcid.org/0000-0002-9003-8680“},”机构“:[{”id“:”https://openalex.org/I177388780“,”display_name“:”徐州医学院“,”ror“:”https://ror.org/04fe7hy80“,”country_code“:”CN“,”type“:“教育”,”世系“:[”https://openalex.org/I177388780“]}],”国家“:[”CN“],”is_corresponding“:false,”raw_author_name“:”Yan Wang“,”rau_affiliation_strings“:[“徐州医科大学江苏省新药研究与临床药学重点实验室,徐州,221004,江苏,2019s Republic”],“affiliations”:[{“raw_affilition_string”:“徐州医科大学江苏省新药研究与临床药学重点实验室,徐州,221004,江苏,2019s Republic”,“institution_ids”:[“https://openalex.org/I177388780“]}]},{”author_position“:”middle“,”author“:{”id“:”https://openalex.org/A5007012464“,”display_name“:”郑高“,”兽人“:”https://orcid.org/0000-0001-9007-5628“},”机构“:[{”id“:”https://openalex.org/I177388780“,”display_name“:”徐州医学院“,”ror“:”https://ror.org/04fe7hy80“,”country_code“:”CN“,”type“:“教育”,”世系“:[”https://openalex.org/I177388780“]}],”国家“:[”CN“],”is_corresponding“:false,”raw_author_name“:”郑高“,”raw _ afiliation_strings“:[“徐州医科大学江苏省新药研究与临床药学重点实验室,徐州,221004,江苏,2019s Republic”],“affiliations”:[{“raw_affiliation_string”:“徐州医科大学江苏省新药研究与临床药学重点实验室,徐州,221004,江苏,2019s Republic”,“institution_ids”:[“https://openalex.org/I177388780“]}]},{”author_position“:”middle“,”author“:{”id“:”https://openalex.org/A5058863967“,”display_name“:”温卓阳“,”兽人“:”https://orcid.org/0000-0001-5623-3258“},”机构“:[{”id“:”https://openalex.org/I177388780“,”display_name“:”徐州医学院“,”ror“:”https://ror.org/04fe7hy80“,”country_code“:”CN“,”type“:“教育”,”世系“:[”https://openalex.org/I177388780“]}],”国家“:[”CN“],”is_corresponding“:false,”raw_author_name“:”Wen Yang“,”rau_affiliation_strings“:[“徐州医科大学江苏省新药研究与临床药学重点实验室,徐州,221004,江苏,2019s Republic”],“affiliations”:[{“raw_affilition_string”:“徐州医科大学江苏省新药研究与临床药学重点实验室,徐州,221004,江苏,2019s Republic”,“institution_ids”:[“https://openalex.org/I177388780“]}]},{”author_position“:”last“,”author“:{”id“:”https://openalex.org/A5063582426“,”display_name“:”Jian Gao“,”orcid“:”https://orcid.org/0000-0001-6723-0490“},”机构“:[{”id“:”https://openalex.org/I177388780“,”display_name“:”徐州医学院“,”ror“:”https://ror.org/04fe7hy80“,”country_code“:”CN“,”type“:“教育”,”世系“:[”https://openalex.org/I177388780“]}],”国家“:[”CN“],”is_corresponding“:false,”raw_author_name“:”Jian Gao“,”rau_affiliation_strings“:[“徐州医科大学江苏省新药研究与临床药学重点实验室,徐州,221004,江苏,2019s Republic”],“affiliations”:[{“raw_affilition_string”:“江苏省徐州医科大学新药研究与临床药学重点实验室,中华人民共和国江苏省徐州市,221004”,“机构ID”:[”https://openalex.org/I177388780“]}]}],”countries_distinct_count“:1,”institutions_disting_count”:1,“corresponding_author_ids”:[],”correspounding_institution_ids“:[]、”apc_list“:{”value“:2890,”currency“:”EUR“,”value_usd“:3690,”provenance“:”doaj“},”apc_payed“:null,”fwci“:1.139,”has_fulltext“:true,”fulltext_origin“:”ngrams“,”cit ed_by_count“:11,”cited_by_percentile_year“:{”min“:88,”max“:89},”biblio“:{”volume“:”33“,”issue“:”4“,”first_page“:”437“,”last_page“:“446”},“is_retracted”:false,“is_paratext”:false,“primary_topic”:{“id”:“https://openalex.org/T11051“,”display_name“:”Sirtuins在健康和老龄化中的作用“,”score“:0.9998,”subfield“:{”id“:”https://openalex.org/subfields/2717“,”display_name“:”老年医学与老年学“},”字段“:{”id“:”https://openalex.org/fields/27“,”display_name“:”Medicine“},”domain“:{”id“:”https://openalex.org/domains/4“,”display_name“:”Health Sciences“}},”topics“:[{”id“:”https://openalex.org/T11051“,”display_name“:”Sirtuins在健康和老龄化中的作用“,”score“:0.9998,”subfield“:{”id“:”https://openalex.org/subfields/2717“,”display_name“:”老年医学与老年病学“},”field“:{”id“:”https://openalex.org/fields/27“,”display_name“:”Medicine“},”domain“:{”id“:”https://openalex.org/domains/4“,”“display_name”:“健康科学”}},{”id“:”https://openalex.org/T11914“,”“display_name”:“癌症治疗中的聚ADP-核糖聚合酶抑制”,“score”:0.9683,“subfield”:{“id”:“https://openalex.org/subfields/2730“,”display_name“:”肿瘤学“},”字段“:{”id“:”https://openalex.org/fields/27“,”display_name“:”Medicine“},”domain“:{”id“:”https://openalex.org/domains/4“,”“display_name”:“健康科学”}},{”id“:”https://openalex.org/T13551“,”“display_name”:“肌肽的生理和病理生理学”,“score”:0.9667,“subfield”:{“id”:“https://openalex.org/subfields/2737“,”display_name“:”生理学“},”字段“:{”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/resveratrol网站“,”display_name“:”白藜芦醇“,”score“:0.54549}],”concepts“:[{”id“:”https://openalex.org/C2776816829,“wikidata”:https://www.wikidata.org/wiki/Q407329“,”display_name“:”白藜芦醇“,”level“:2,”score“:0.9646163},{”id“:”https://openalex.org/C102931765,“wikidata”:https://www.wikidata.org/wiki/Q189673“,”display_name“:”离解(化学)“,”level“:2,”score“:0.68794805},{”id“:”https://openalex.org/C59593255,“wikidata”:https://www.wikidata.org/wiki/Q901663“,”display_name“:”分子动力学“,”level“:2,”score“:0.6060907},{”id“:”https://openalex.org/C185592680,“wikidata”:https://www.wikidata.org/wiki/Q2329“,”display_name“:”Chemistry“,”level“:0,”score“:0.5012133},{”id“:”https://openalex.org/C145912823,“wikidata”:https://www.wikidata.org/wiki/Q113558“,”display_name“:”Dynamics(music)“,”level“:2,”score“:0.46189559},{”id“:”https://openalex.org/C147597530,“wikidata”:https://www.wikidata.org/wiki/Q369472“,”display_name“:”计算化学“,”level“:1,”score“:0.37480253},{”id“:”https://openalex.org/C12554922,“wikidata”:https://www.wikidata.org/wiki/Q7100“,”display_name“:”生物物理学“,”level“:1,”score“:0.36728913},{”id“:”https://openalex.org/C121332964,“wikidata”:https://www.wikidata.org/wiki/Q413“,”display_name“:”物理“,”等级“:0,”分数“:0.2746228},{”id“:”https://openalex.org/C55493867,“wikidata”:https://www.wikidata.org/wiki/Q7094“,”display_name“:”Biochemistry“,”level“:1,”score“:0.21649599},{”id“:”https://openalex.org/C147789679,“wikidata”:https://www.wikidata.org/wiki/Q11372“,”display_name“:”物理化学“,”level“:1,”score“:0.1439116},{”id“:”https://openalex.org/C86803240,“wikidata”:https://www.wikidata.org/wiki/Q420“,”display_name“:”Biology“,”level“:0,”score“:0.1167326},{”id“:”https://openalex.org/C24890656,“wikidata”:https://www.wikidata.org/wiki/Q82811“,”display_name“:”Acoustics“,”level“:1,”score“:0.0}],”mesh“:[{”descriptor_ui“:”D020536“,”描述符名称“:”酶激活剂“,”qualifier_ui”:“Q000494”,“qualifier _name”:“药理学”,“is_major_topic”:true},{”描述符名称ajor_topic“:true},{”descriptor_ui“:”D056564“,”descriptor_name“:”Sirtuin 1“,”qualifier_ui”:“Q000378”,“qualifier _name”:“新陈代谢”,“is_major_topic”:true},{“描述符_ ui”:“D001665”,“描述符_名称”:“绑定站点”,“限定符_ ui“”:“”,“qualifier _ name”:null,“is _ major _topic 87英寸qualifier_name“:“药物效应”,“is_major_topic”:false},{“描述符_ui”:“D020536”,“描述符_name”:“酶激活剂”,“限定符_ui“:”,“qualifier _name”“:null,”is_mayor_topical“:false},}“描述符_ ui”“:”D006801“描述符_name:”“人类”,“qualifier _ui:”“,”限定符_name:null,“is_ major_topic”“:false},名称“:”分子对接模拟“,”限定符_ui“:”“,”qualifier_name“:null,”is_major_topic“:false},{”描述符_ui”:“D056004”,“描述符_name”:“分子动力学模拟”,“限定符_ui”:“”,“qualifier _name”:null,“is_mayor_topical”:false},}”描述符_ ui“:”D011487“,”描述符_名称“:”蛋白质构象“,”“限定符_ ui”“:”,“is_major_topic“:false},{“描述符_ ui”:“D011487”,“描述符_名称”:“蛋白质构象”,“限定符_ ui“:”Q000187“,”限定符_名称“:”药物效应“,”is_mayor_topical“:false},}“描述符_ui”:“D000077185”,“descriptor_name”:“白藜芦醇”,“qualifier_ui“:”“,”qualifier _name“:null,”is_ major_ topic“:false}“,{”描述符_ ui:“D056564”,“描述符_名称”:“Sirtuin 1“,”qualifier_ui“:”“,”qualifier_name“:null,”is_major_topic“:false},{”descriptor_ui”:“D056564”,“descriptor_name”:“Sirtui 1”,“qualifier _ui(限定符_ui):“Q000737”,“限定符_名称”:“chemistry”,“is_mayor_topical”:false}],“locations_count”:2,“location”:[{“is_oa”:true,“landing_page_url”:“https://doi.org/10.1007/s10822-019-00193-0,“pdf_url”:https://link.springer.com/content/pdf/10.1007/s10822-019-00193-0.pdf,“源”:{“id”:https://openalex.org/S64621741“,”display_name“:”计算机辅助分子设计杂志“,”issn_l“:”0920-654X“,”isn“:[”0920-6504X“、”1573-4951“],”is_oa“:false,”is-in_doaj“:false,”is_core“:true,”host_organization“:”https://openalex.org/P4310318900“,”“host_organization_name”:“Springer Science+Business Media”,“host_organization_lineage”:[“https://openalex.org/P4310319965","https://openalex.org/P4310318900“],”host_organization_lineage_names“:[”Springer Nature“,”Springer-Science+Business Media“],“type”:“journal”},“license”:null,“licence_id”:nul,“version”:“publishedVersion”,“is_accepted”:true,“is_published”:true},{“is_oa”:false,“landing_page_url”:“https://pubmed.ncbi.nlm.nih.gov/30805760“,”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“:”美国国立卫生研究院“,”host_organization_lineage“:[”https://openalex.org/I1299303238“],”host_organization_lineage_names“:[”National Institutes of Health“],“type”:“repository”},“license”:null,“licence_id”:null,“version”:null,“is_accepted”:false,“is_published”:false}],“best_oa_location”:{“is_oa”:true,“landing_page_url”:“https://doi.org/10.1007/s10822-019-00193-0,“pdf_url”:https://link.springer.com/content/pdf/10.1007/s10822-019-00193-0.pdf,“源”:{“id”:https://openalex.org/S64621741“,”display_name“:”计算机辅助分子设计杂志“,”issn_l“:”0920-654X“,”isn“:[”0920-6504X“、”1573-4951“],”is_oa“:false,”is-in_doaj“:false,”is_core“:true,”host_organization“:”https://openalex.org/P4310318900“,”“host_organization_name”:“Springer Science+Business Media”,“host_organization_lineage”:[“https://openalex.org/P4310319965","https://openalex.org/P4310318900“],”host_organization_lineage_names“:[”Springer Nature“,”Springer-Science+Business Media“],“type”:“journal”},“license”:null,“licence_id”:nul,“version”:“publishedVersion”,“is_accepted”:true,“is_published”:true},”sustainable_development_goals“:[],”grants“:{”funder“:”https://openalex.org/F4320334953“,”“funder_display_name”:“中国杰出青年科学基金”,“award_id”:“21708033”}],“datasets”:[],“versions”:[],“referenced_works_count”:29,“referrenced_works”:[”https://openalex.org/W1237100429","https://openalex.org/W1862685904","https://openalex.org/W1973901371","https://openalex.org/W1974890383","https://openalex.org/W2025116694","https://openalex.org/W2041959419","https://openalex.org/W2053176849","https://openalex.org/W2059267070","https://openalex.org/W2067174909","https://openalex.org/W2069123478","https://openalex.org/W2071298886","https://openalex.org/W2074740541","https://openalex.org/W2079714174","https://openalex.org/W208701973网址","https://openalex.org/W2105103540","https://openalex.org/W2111092938","https://openalex.org/W2118233996","https://openalex.org/W2123927456","https://openalex.org/W2125712194","https://openalex.org/W2139449514","https://openalex.org/W2142363369","https://openalex.org/W2144600435","https://openalex.org/W2147993766","https://openalex.org/W2162711901","https://openalex.org/W2164270482","https://openalex.org/W2470899874","https://openalex.org/W2559479206","https://openalex.org/W2772606519","https://openalex.org/W2788554490“],”related_works“:[”https://openalex.org/W3167995456","https://openalex.org/W3142994314","https://openalex.org/W2966869013","https://openalex.org/W2759301421","https://openalex.org/W2374843961","https://openalex.org/W2099334952","https://openalex.org/W2071323719","https://openalex.org/W2006609360","https://openalex.org/W1977437173","https://openalex.org/W1548394646“],”ngrams_url“:”https://api.openalex.org/works/W2917062059/ngrams网站“,”“abstract_inverted_index”:{“SIRT1”:[0,26,42,53,63,73107294312],“is”:[1],“an”:[2,78196],“NAD+依赖性”:[3],“脱乙酰酶”:[4],“which”:[5],“activators”:[6],“have”:[7],“potential”:[8],“theraptical”:[9],“applications”:[10],“in”:[11,28,51102152187203275],”“the”37,52,60,70,82,86,96103116145160220234251258261270276283298】,“年龄相关”:[13],“代谢”:[14],“神经变性”:[15],“和”:[16,33,57,68129133155164225231264295303],”心血管“:[17,34],”疾病“:[18,35],”白藜芦醇“:[19],”(RSV)“:[20],”has“:[21,91],”been“:[22,93],”respected“:[23],'as“:[24],”potent“:[25311],”activator“:[27],“治疗”:[30],“共”:[31,41,62,72,85,89,99106118147162168175210233278286301],“动脉粥样硬化”:[32],“此外,”:[36,95],“先前”:[38],“晶体”:[39],“结构”:[40],“复合物”:[43],“with”:[44245293],“RSV”:[45,49101288],“指示”:[46296],“that”:[47144174297],“三”:[48100287],”参与“:[50],“激活”:[54],“即”:[55],“RSV1”:[556148302],“RSV2”:[58163169246304],“增强”:[59],“相互作用”:[61292],“到”:[614135159241308],“其”:[65184200],“底物”:[66],“肽”:[67],“促进”:[69],“刺激”:[71],“活性”:[74],“同时”:[75],“RSV3”:[76,10119179211224249],“表现”:[77],“辅助”:[79201],“功能”:[80],“鉴于”:[81],“分子”:[83138],“机制”:[84],“不重要”:[87],“角色”:[88117202],“非”:[92],“已报告。”:[94],“动力学”:[97139],“属性”:[98],“绑定”:[104146185291299],“位点”:[105186],“are”:[108],“仍然”:[109],“未知。”:[110],“In”:[111218],“此”:[112],“研究”:[113],“评估”:[115],“系统地,“:[120],”五“:[121],”SIRT1_RSV“:[122],”系统“:[123154189],“(SIRT1_RSV1-3,”:[124],“SIRT1_ RSV1-2,”:%125],“SI RT1_RSAV1,”:/126],“3,”:127],“S RT1_RS V2-3”:[128],“SRT13)”:[130],“were”:[131],“constructed”:[132],“subject”:[134],“20”:[136],“ns”:[137],“simulation.”:[140],“Our”:141280],“仿真”:[142],“显示”:[143],“是”:[149170],“极端”:[150],“稳定”:[151],“任何”:[153],“可能”:[156194],“be”:[157195306],“independent”:[158],“existence”:[161],“RSV3.”:[165279],“The”:[166],“stability”:[167],“slightly”:[171],“weaker”:[172],“than”:[173248],“RSAV1.”:[176],“More”:[177],“interesting”:[178],“could”:[180],“complete”:[181],“discreate”:%182],“from”:[183],“SIRTRT.”1_RSV1-3“:[188],”at“:[190],”7“:[191],”ns“:[192],”which“:[193273],“重要”:[197],“因子”:[198],“代表”:[199],“激活”:[204],“SIRT1.”:[205],“实际上”:[206],“一些”:[207],“初步”:[208],“符号”:[209],“分离”:[21277],”已经“:[213],“出现”:[214],“围绕”:[215],“1”:[216],“ns”:[217],“细节”:[219],“先天”:[221],“弱点”:[222],“介于”:[223],“Lys444”:[226],“会”:[227],“触发器”:[228],“频繁”:[229],“形成”:[230],“断裂”:[232],“RSV3-Lys444”:[235252263],“氢”:[236243253266],“键”:[237],“残渣”:[238],“Asp298”:[239],“首选”:[240],“形式”:[242],“结合”:[244254],“相当于”:[247],“一次”:[250],“变为”:[255],“更强。”:[256],“没有”:[257],“RSV3-Asp298”:[259],“交互”,:[260],“剩余”:[262],“RSV3-Asp292”:[265],“bonds”:[267],“hardly”:[268],“preserved”:[269],“RSV3's”:[271],“binding”,“:[272],“resulted”:[274],“work”:[281],“explained”:282],“inequable”:[284],“contributions”:285],“on”:[289],“their”:[290],“sites”:[300],“should”:[305],“enough”:[307],“设计”:[309],“更多”:[310],“激活器”:[313]},“引用_ by_api_url”:“https://api.openalex.org/works?filter=cites:W2917062059“,”counts_by_year“:[{“年”:2024,”cited_by_count“:1},{“年份”:2023,”ciped_by_cunt“:2},”{“年度”:2022,“cited_by_count”:3},“年份”:2021,”cited_by_count 999“,”创建日期“:”2019-03-02“}