{"id":"https://openalex.org/W2921099139","doi":"https://doi.org/10.1021/acs.jcim.8b00844","title":"MD Simulation Investigation on the Binding Process of Smoke-Derived Germination Stimulants to Its Receptor","display_name":"MD Simulation Investigation on the Binding Process of Smoke-Derived Germination Stimulants to Its Receptor","publication_year":2019,"publication_date":"2019-03-18","ids":{"openalex":"https://openalex.org/W2921099139","doi":"https://doi.org/10.1021/acs.jcim.8b00844","mag":"2921099139","pmid":"https://pubmed.ncbi.nlm.nih.gov/30884225"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.8b00844","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.8b00844","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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5051896119","display_name":"Fei Hu","orcid":"https://orcid.org/0000-0001-6164-0536"},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Fei Hu","raw_affiliation_strings":["International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People\u2019s Republic of China","International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People's Republic of China"],"affiliations":[{"raw_affiliation_string":"International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People\u2019s Republic of China","institution_ids":["https://openalex.org/I194450716"]},{"raw_affiliation_string":"International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People's Republic of China","institution_ids":["https://openalex.org/I194450716"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100644409","display_name":"Xiaoting Liu","orcid":"https://orcid.org/0000-0002-7074-8618"},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiao-Ting Liu","raw_affiliation_strings":["International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People\u2019s Republic of China","International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People's Republic of China"],"affiliations":[{"raw_affiliation_string":"International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People\u2019s Republic of China","institution_ids":["https://openalex.org/I194450716"]},{"raw_affiliation_string":"International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People's Republic of China","institution_ids":["https://openalex.org/I194450716"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101447121","display_name":"Jilong Zhang","orcid":"https://orcid.org/0000-0002-5813-0452"},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Ji-Long Zhang","raw_affiliation_strings":["International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People\u2019s Republic of China","International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People's Republic of China"],"affiliations":[{"raw_affiliation_string":"International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People\u2019s Republic of China","institution_ids":["https://openalex.org/I194450716"]},{"raw_affiliation_string":"International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People's Republic of China","institution_ids":["https://openalex.org/I194450716"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009654446","display_name":"Qing\u2010Chuan Zheng","orcid":"https://orcid.org/0000-0003-2978-768X"},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qing-Chuan Zheng","raw_affiliation_strings":["International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People\u2019s Republic of China","International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People's Republic of China"],"affiliations":[{"raw_affiliation_string":"International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People\u2019s Republic of China","institution_ids":["https://openalex.org/I194450716"]},{"raw_affiliation_string":"International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People's Republic of China","institution_ids":["https://openalex.org/I194450716"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020698874","display_name":"R. I. Eglitis","orcid":"https://orcid.org/0000-0002-8772-257X"},"institutions":[{"id":"https://openalex.org/I91123046","display_name":"University of Latvia","ror":"https://ror.org/05g3mes96","country_code":"LV","type":"education","lineage":["https://openalex.org/I91123046"]}],"countries":["LV"],"is_corresponding":false,"raw_author_name":"Roberts I. Eglitis","raw_affiliation_strings":["Institute of Solid State Physics, University of Latvia, 8 Kengaraga Str., Riga LV1067, Latvia"],"affiliations":[{"raw_affiliation_string":"Institute of Solid State Physics, University of Latvia, 8 Kengaraga Str., Riga LV1067, Latvia","institution_ids":["https://openalex.org/I91123046"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100718689","display_name":"Hong\u2010Xing Zhang","orcid":"https://orcid.org/0000-0001-5334-733X"},"institutions":[{"id":"https://openalex.org/I194450716","display_name":"Jilin University","ror":"https://ror.org/00js3aw79","country_code":"CN","type":"education","lineage":["https://openalex.org/I194450716"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Hong-Xing Zhang","raw_affiliation_strings":["International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People\u2019s Republic of China","International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People's Republic of China"],"affiliations":[{"raw_affiliation_string":"International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People\u2019s Republic of China","institution_ids":["https://openalex.org/I194450716"]},{"raw_affiliation_string":"International Joint Research Laboratory of Nano-Micro Architecture Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, Jilin, People's Republic of China","institution_ids":["https://openalex.org/I194450716"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5100718689","https://openalex.org/A5101447121"],"corresponding_institution_ids":["https://openalex.org/I194450716"],"apc_list":null,"apc_paid":null,"fwci":3.7795,"has_fulltext":false,"cited_by_count":27,"citation_normalized_percentile":{"value":0.92475341,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":95,"max":99},"biblio":{"volume":"59","issue":"4","first_page":"1554","last_page":"1562"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12475","display_name":"Plant Parasitism and Resistance","score":0.9973000288009644,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T12475","display_name":"Plant Parasitism and Resistance","score":0.9973000288009644,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10184","display_name":"Plant Molecular Biology Research","score":0.9577999711036682,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11298","display_name":"Synthesis and Properties of Aromatic Compounds","score":0.906000018119812,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/smoke","display_name":"Smoke","score":0.5620917677879333},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.45313209295272827},{"id":"https://openalex.org/keywords/germination","display_name":"Germination","score":0.4492286443710327},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.43210598826408386},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4149557948112488},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3739370107650757},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3159472346305847},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2570952773094177},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2303045392036438},{"id":"https://openalex.org/keywords/botany","display_name":"Botany","score":0.17786288261413574},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.1257912814617157}],"concepts":[{"id":"https://openalex.org/C58874564","wikidata":"https://www.wikidata.org/wiki/Q130768","display_name":"Smoke","level":2,"score":0.5620917677879333},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.45313209295272827},{"id":"https://openalex.org/C100701293","wikidata":"https://www.wikidata.org/wiki/Q193838","display_name":"Germination","level":2,"score":0.4492286443710327},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.43210598826408386},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4149557948112488},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3739370107650757},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3159472346305847},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2570952773094177},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2303045392036438},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.17786288261413574},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1257912814617157},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D010940","descriptor_name":"Plant Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010940","descriptor_name":"Plant Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010940","descriptor_name":"Plant Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D010940","descriptor_name":"Plant Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010940","descriptor_name":"Plant Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010940","descriptor_name":"Plant Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"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":"D018525","descriptor_name":"Germination","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D018525","descriptor_name":"Germination","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D018525","descriptor_name":"Germination","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.8b00844","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.8b00844","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:30884225","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30884225","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}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1262276248","display_name":null,"funder_award_id":"21203072","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G2936820490","display_name":null,"funder_award_id":"2013M541289","funder_id":"https://openalex.org/F4320321543","funder_display_name":"China Postdoctoral Science Foundation"},{"id":"https://openalex.org/G4261078132","display_name":null,"funder_award_id":"2013T60320","funder_id":"https://openalex.org/F4320321543","funder_display_name":"China Postdoctoral Science Foundation"},{"id":"https://openalex.org/G6329764853","display_name":null,"funder_award_id":"20130037","funder_id":"https://openalex.org/F4320321543","funder_display_name":"China Postdoctoral Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321543","display_name":"China Postdoctoral Science Foundation","ror":"https://ror.org/0426zh255"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":57,"referenced_works":["https://openalex.org/W1615988096","https://openalex.org/W1726560545","https://openalex.org/W1967425156","https://openalex.org/W1970728489","https://openalex.org/W1974938117","https://openalex.org/W1976499671","https://openalex.org/W1984208810","https://openalex.org/W1986764159","https://openalex.org/W1989191998","https://openalex.org/W1989926905","https://openalex.org/W1991794210","https://openalex.org/W2002950769","https://openalex.org/W2005132559","https://openalex.org/W2006341750","https://openalex.org/W2007009583","https://openalex.org/W2014574246","https://openalex.org/W2021095526","https://openalex.org/W2021232882","https://openalex.org/W2027251850","https://openalex.org/W2029667189","https://openalex.org/W2031314788","https://openalex.org/W2033098267","https://openalex.org/W2038758364","https://openalex.org/W2044105876","https://openalex.org/W2046147295","https://openalex.org/W2047745952","https://openalex.org/W2050801300","https://openalex.org/W2052128951","https://openalex.org/W2060872117","https://openalex.org/W2064595932","https://openalex.org/W2067174909","https://openalex.org/W2067260411","https://openalex.org/W2067292947","https://openalex.org/W2070753604","https://openalex.org/W2071150667","https://openalex.org/W2078629389","https://openalex.org/W2081539193","https://openalex.org/W2102599819","https://openalex.org/W2105984494","https://openalex.org/W2111917512","https://openalex.org/W2131011660","https://openalex.org/W2134311326","https://openalex.org/W2150981663","https://openalex.org/W2192005977","https://openalex.org/W2239660163","https://openalex.org/W2402434458","https://openalex.org/W2476426352","https://openalex.org/W2489045970","https://openalex.org/W2496380124","https://openalex.org/W2517059414","https://openalex.org/W2617380789","https://openalex.org/W2765476877","https://openalex.org/W2794209945","https://openalex.org/W2799448705","https://openalex.org/W3096193351","https://openalex.org/W3122508236","https://openalex.org/W4233356364"],"related_works":["https://openalex.org/W2365497559","https://openalex.org/W2393988552","https://openalex.org/W2357554500","https://openalex.org/W2348304484","https://openalex.org/W217980664","https://openalex.org/W2359546330","https://openalex.org/W2351635273","https://openalex.org/W2137659180","https://openalex.org/W2361746932","https://openalex.org/W2382566321"],"abstract_inverted_index":{"Karrikins":[0],"(KARs)":[1],"are":[2,170,193],"a":[3],"class":[4],"of":[5,21,41,65,73,102,112,152,161,183,189,201,214],"smoke-derived":[6],"seed":[7],"germination":[8,40,237],"stimulants":[9],"with":[10,89,137],"great":[11],"significance":[12],"in":[13,45,86,106,118,148,227],"both":[14],"agriculture":[15],"and":[16,69,142,219,231],"plant":[17],"biology.":[18],"By":[19],"means":[20],"direct":[22],"binding":[23,63,76,80,108,217],"to":[24,60,67,172,209],"the":[25,29,33,42,46,49,62,71,74,90,100,107,113,119,144,149,153,156,162,166,177,180,184,187,190,198,202,210,215,220,228],"receptor":[26,221],"protein":[27,154],"KAI2,":[28],"compounds":[30],"can":[31],"initiate":[32],"KAR":[34,229],"signal":[35],"transduction":[36],"pathway,":[37],"hence":[38],"triggering":[39],"dormant":[43],"seeds":[44],"soil.":[47],"In":[48],"research,":[50],"several":[51,138,225],"molecular":[52],"dynamics":[53],"(MD)":[54],"simulation":[55,114],"techniques":[56],"were":[57],"properly":[58],"integrated":[59],"investigate":[61],"process":[64,218],"KAR<sub>1</sub>":[66,122],"KAI2":[68],"reveal":[70],"details":[72],"whole":[75],"event.":[77],"The":[78,95,110],"calculated":[79],"free":[81],"energy,":[82],"-7.00":[83],"kcal/mol,":[84],"is":[85,123],"good":[87],"agreement":[88],"experimental":[91],"measurement,":[92],"-6.83":[93],"kcal/mol.":[94],"obtained":[96],"PMF":[97],"profile":[98],"indicates":[99],"existence":[101],"three":[103],"intermediate":[104,120],"states":[105],"process.":[109],"analysis":[111],"trajectories":[115],"demonstrates":[116],"that,":[117],"structures,":[121],"stabilized":[124],"by":[125,197],"some":[126],"hydrophobic":[127],"residues":[128,163],"(Phe26,":[129],"Phe134,":[130],"Leu142,":[131],"Trp153,":[132],"Phe157,":[133],"Leu160,":[134],"Phe194),":[135],"along":[136],"bridging":[139],"water":[140],"molecules,":[141],"meanwhile,":[143],"significant":[145],"shifting":[146],"occurs":[147],"local":[150],"conformation":[151],"as":[155],"ligand's":[157,191],"binding.":[158,185],"A":[159],"series":[160],"(Gln141-Phe157)":[164],"on":[165],"so-called":[167],"\"cap":[168],"domain\"":[169],"proposed":[171],"be":[173],"responsible":[174],"for":[175],"capturing":[176],"ligand":[178,216],"at":[179],"initial":[181],"stage":[182],"Besides,":[186],"changes":[188],"poses":[192],"also":[194],"quantitatively":[195],"characterized":[196],"proper":[199],"choice":[200],"coordinate":[203],"system.":[204],"Our":[205],"work":[206],"will":[207],"contribute":[208],"more":[211,235],"penetrating":[212],"understanding":[213],"affinity":[222],"difference":[223],"between":[224],"members":[226],"family":[230],"help":[232],"design":[233],"new,":[234],"effective":[236],"stimulants.":[238]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":8},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":6},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":3}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}