{"id":"https://openalex.org/W4405925034","doi":"https://doi.org/10.1021/acs.jcim.4c02010","title":"Molecular Mechanisms Underlying the Loop-Closing Dynamics of \u03b2-1,4 Galactosyltransferase 1","display_name":"Molecular Mechanisms Underlying the Loop-Closing Dynamics of \u03b2-1,4 Galactosyltransferase 1","publication_year":2024,"publication_date":"2024-12-31","ids":{"openalex":"https://openalex.org/W4405925034","doi":"https://doi.org/10.1021/acs.jcim.4c02010","pmid":"https://pubmed.ncbi.nlm.nih.gov/39737871"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.4c02010","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02010","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c02010","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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","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":"hybrid","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c02010","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5108973494","display_name":"Jiaqi Tian","orcid":"https://orcid.org/0009-0000-9060-3718"},"institutions":[{"id":"https://openalex.org/I177388780","display_name":"Xuzhou Medical College","ror":"https://ror.org/04fe7hy80","country_code":"CN","type":"education","lineage":["https://openalex.org/I177388780"]},{"id":"https://openalex.org/I4210163477","display_name":"Institute for Medical Informatics and Biostatistics","ror":"https://ror.org/04e79zk25","country_code":"CH","type":"facility","lineage":["https://openalex.org/I4210163477"]}],"countries":["CH","CN"],"is_corresponding":true,"raw_author_name":"Jiaqi Tian","raw_affiliation_strings":["School of Medical Informatics and Engineering","Xuzhou Medical University","School of Medical Informatics and Engineering, Xuzhou Medical University, Xuzhou 221140, Jiangsu Province, China"],"raw_orcid":"https://orcid.org/0009-0000-9060-3718","affiliations":[{"raw_affiliation_string":"School of Medical Informatics and Engineering","institution_ids":["https://openalex.org/I4210163477"]},{"raw_affiliation_string":"Xuzhou Medical University","institution_ids":["https://openalex.org/I177388780"]},{"raw_affiliation_string":"School of Medical Informatics and Engineering, Xuzhou Medical University, Xuzhou 221140, Jiangsu Province, China","institution_ids":["https://openalex.org/I177388780"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026226963","display_name":"Wenjuan Jia","orcid":"https://orcid.org/0000-0003-3381-8506"},"institutions":[{"id":"https://openalex.org/I3018397418","display_name":"Yuhuangding Hospital","ror":"https://ror.org/05vawe413","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I3018397418"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wenjuan Jia","raw_affiliation_strings":["Department of Cardiology","Yantai Yuhuangding Hospital","Department of Cardiology, Yantai Yuhuangding Hospital, Yantai 264000, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Cardiology","institution_ids":[]},{"raw_affiliation_string":"Yantai Yuhuangding Hospital","institution_ids":["https://openalex.org/I3018397418"]},{"raw_affiliation_string":"Department of Cardiology, Yantai Yuhuangding Hospital, Yantai 264000, China","institution_ids":["https://openalex.org/I3018397418"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087786369","display_name":"Haibin Dong","orcid":"https://orcid.org/0000-0002-5851-0578"},"institutions":[{"id":"https://openalex.org/I3018397418","display_name":"Yuhuangding Hospital","ror":"https://ror.org/05vawe413","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I3018397418"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Haibin Dong","raw_affiliation_strings":["Department of Cardiology","Yantai Yuhuangding Hospital","Department of Cardiology, Yantai Yuhuangding Hospital, Yantai 264000, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Cardiology","institution_ids":[]},{"raw_affiliation_string":"Yantai Yuhuangding Hospital","institution_ids":["https://openalex.org/I3018397418"]},{"raw_affiliation_string":"Department of Cardiology, Yantai Yuhuangding Hospital, Yantai 264000, China","institution_ids":["https://openalex.org/I3018397418"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Xialin Luo","orcid":null},"institutions":[{"id":"https://openalex.org/I4210157781","display_name":"Shanghai Clinical Research Center","ror":"https://ror.org/057tkkm33","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210157781"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xialin Luo","raw_affiliation_strings":["Shanghai Center for Clinical Laboratory","Shanghai Center for Clinical Laboratory, Shanghai 200120, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Shanghai Center for Clinical Laboratory","institution_ids":["https://openalex.org/I4210157781"]},{"raw_affiliation_string":"Shanghai Center for Clinical Laboratory, Shanghai 200120, China","institution_ids":["https://openalex.org/I4210157781"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101729972","display_name":"Lei Gong","orcid":"https://orcid.org/0000-0002-3084-8358"},"institutions":[{"id":"https://openalex.org/I3018397418","display_name":"Yuhuangding Hospital","ror":"https://ror.org/05vawe413","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I3018397418"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lei Gong","raw_affiliation_strings":["Department of Cardiology","Yantai Yuhuangding Hospital","Department of Cardiology, Yantai Yuhuangding Hospital, Yantai 264000, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Cardiology","institution_ids":[]},{"raw_affiliation_string":"Yantai Yuhuangding Hospital","institution_ids":["https://openalex.org/I3018397418"]},{"raw_affiliation_string":"Department of Cardiology, Yantai Yuhuangding Hospital, Yantai 264000, China","institution_ids":["https://openalex.org/I3018397418"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075466637","display_name":"Yanxin Ren","orcid":"https://orcid.org/0009-0005-7963-6304"},"institutions":[{"id":"https://openalex.org/I3018397418","display_name":"Yuhuangding Hospital","ror":"https://ror.org/05vawe413","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I3018397418"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yanxin Ren","raw_affiliation_strings":["Department of Cardiology","Yantai Yuhuangding Hospital","Department of Cardiology, Yantai Yuhuangding Hospital, Yantai 264000, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Cardiology","institution_ids":[]},{"raw_affiliation_string":"Yantai Yuhuangding Hospital","institution_ids":["https://openalex.org/I3018397418"]},{"raw_affiliation_string":"Department of Cardiology, Yantai Yuhuangding Hospital, Yantai 264000, China","institution_ids":["https://openalex.org/I3018397418"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100954801","display_name":"Lin Zhong","orcid":"https://orcid.org/0000-0002-5485-1615"},"institutions":[{"id":"https://openalex.org/I3018397418","display_name":"Yuhuangding Hospital","ror":"https://ror.org/05vawe413","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I3018397418"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lin Zhong","raw_affiliation_strings":["Department of Cardiology","Yantai Yuhuangding Hospital","Department of Cardiology, Yantai Yuhuangding Hospital, Yantai 264000, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Cardiology","institution_ids":[]},{"raw_affiliation_string":"Yantai Yuhuangding Hospital","institution_ids":["https://openalex.org/I3018397418"]},{"raw_affiliation_string":"Department of Cardiology, Yantai Yuhuangding Hospital, Yantai 264000, China","institution_ids":["https://openalex.org/I3018397418"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075039484","display_name":"Jianxun Wang","orcid":"https://orcid.org/0000-0002-3731-6514"},"institutions":[{"id":"https://openalex.org/I108688024","display_name":"Qingdao University","ror":"https://ror.org/021cj6z65","country_code":"CN","type":"education","lineage":["https://openalex.org/I108688024"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jianxun Wang","raw_affiliation_strings":["Qingdao University","School of Basic Medicine","School of Basic Medicine, Qingdao University, Qingdao 266071, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Qingdao University","institution_ids":["https://openalex.org/I108688024"]},{"raw_affiliation_string":"School of Basic Medicine","institution_ids":[]},{"raw_affiliation_string":"School of Basic Medicine, Qingdao University, Qingdao 266071, China","institution_ids":["https://openalex.org/I108688024"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5088826397","display_name":"Danfeng Shi","orcid":"https://orcid.org/0000-0002-0109-4518"},"institutions":[{"id":"https://openalex.org/I124841900","display_name":"Xuzhou University of Technology","ror":"https://ror.org/02315by94","country_code":"CN","type":"education","lineage":["https://openalex.org/I124841900"]},{"id":"https://openalex.org/I4394709081","display_name":"Xuzhou College of Industrial Technology","ror":"https://ror.org/00bn0wv11","country_code":null,"type":"education","lineage":["https://openalex.org/I4394709081"]},{"id":"https://openalex.org/I52706244","display_name":"College of Industrial Technology","ror":"https://ror.org/054a9s036","country_code":"JP","type":"education","lineage":["https://openalex.org/I52706244"]}],"countries":["CN","JP"],"is_corresponding":true,"raw_author_name":"Danfeng Shi","raw_affiliation_strings":["Xuzhou College of Industrial Technology","Xuzhou College of Industrial Technology, Xuzhou 221140, Jiangsu Province, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Xuzhou College of Industrial Technology","institution_ids":["https://openalex.org/I52706244","https://openalex.org/I4394709081"]},{"raw_affiliation_string":"Xuzhou College of Industrial Technology, Xuzhou 221140, Jiangsu Province, China","institution_ids":["https://openalex.org/I124841900"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5075039484","https://openalex.org/A5088826397","https://openalex.org/A5108973494"],"corresponding_institution_ids":["https://openalex.org/I108688024","https://openalex.org/I124841900","https://openalex.org/I177388780","https://openalex.org/I4210163477","https://openalex.org/I4394709081","https://openalex.org/I52706244"],"apc_list":null,"apc_paid":null,"fwci":1.6167,"has_fulltext":true,"cited_by_count":8,"citation_normalized_percentile":{"value":0.84108413,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":99},"biblio":{"volume":"65","issue":"1","first_page":"390","last_page":"401"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10602","display_name":"Glycosylation and Glycoproteins Research","score":0.9998999834060669,"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/T10602","display_name":"Glycosylation and Glycoproteins Research","score":0.9998999834060669,"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/T11162","display_name":"Enzyme Structure and Function","score":0.9950000047683716,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9916999936103821,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/closing","display_name":"Closing (real estate)","score":0.7309091091156006},{"id":"https://openalex.org/keywords/loop","display_name":"Loop (graph theory)","score":0.7195367813110352},{"id":"https://openalex.org/keywords/galactosyltransferase","display_name":"Galactosyltransferase","score":0.7033345699310303},{"id":"https://openalex.org/keywords/dynamics","display_name":"Dynamics (music)","score":0.5331859588623047},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.436740517616272},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3413954973220825},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3277096748352051},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.16981786489486694},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.1682414710521698},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.12620988488197327},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.07874774932861328},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.07039943337440491}],"concepts":[{"id":"https://openalex.org/C2778775528","wikidata":"https://www.wikidata.org/wiki/Q5135432","display_name":"Closing (real estate)","level":2,"score":0.7309091091156006},{"id":"https://openalex.org/C184670325","wikidata":"https://www.wikidata.org/wiki/Q512604","display_name":"Loop (graph theory)","level":2,"score":0.7195367813110352},{"id":"https://openalex.org/C2780895608","wikidata":"https://www.wikidata.org/wiki/Q5517847","display_name":"Galactosyltransferase","level":3,"score":0.7033345699310303},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.5331859588623047},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.436740517616272},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3413954973220825},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3277096748352051},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.16981786489486694},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.1682414710521698},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.12620988488197327},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.07874774932861328},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.07039943337440491},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.0},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.0},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D005700","descriptor_name":"Galactosyltransferases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"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":"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":"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":"D008390","descriptor_name":"Markov Chains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008390","descriptor_name":"Markov Chains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008390","descriptor_name":"Markov Chains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008390","descriptor_name":"Markov Chains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008390","descriptor_name":"Markov Chains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008390","descriptor_name":"Markov Chains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008390","descriptor_name":"Markov Chains","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008390","descriptor_name":"Markov Chains","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":"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":"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":"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},{"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},{"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":3,"locations":[{"id":"doi:10.1021/acs.jcim.4c02010","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02010","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c02010","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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:39737871","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/39737871","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:pubmedcentral.nih.gov:11734692","is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC11734692/","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC11734692/pdf/ci4c02010.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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.4c02010","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.4c02010","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.4c02010","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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1518169481","display_name":null,"funder_award_id":"32201019","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G3671627117","display_name":null,"funder_award_id":"ZR2023QH348","funder_id":"https://openalex.org/F4320324174","funder_display_name":"Natural Science Foundation of Shandong Province"},{"id":"https://openalex.org/G6124590227","display_name":null,"funder_award_id":"BK20220660","funder_id":"https://openalex.org/F4320322769","funder_display_name":"Natural Science Foundation of Jiangsu Province"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321605","display_name":"Government of Jiangsu Province","ror":"https://ror.org/004svx814"},{"id":"https://openalex.org/F4320322769","display_name":"Natural Science Foundation of Jiangsu Province","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320324174","display_name":"Natural Science Foundation of Shandong Province","ror":null}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4405925034.pdf","grobid_xml":"https://content.openalex.org/works/W4405925034.grobid-xml"},"referenced_works_count":70,"referenced_works":["https://openalex.org/W1541406481","https://openalex.org/W1969723894","https://openalex.org/W1979401635","https://openalex.org/W1980075189","https://openalex.org/W1980387947","https://openalex.org/W1993555435","https://openalex.org/W2001130060","https://openalex.org/W2007662810","https://openalex.org/W2012029966","https://openalex.org/W2014445318","https://openalex.org/W2016441423","https://openalex.org/W2017595072","https://openalex.org/W2027351339","https://openalex.org/W2027593773","https://openalex.org/W2029489645","https://openalex.org/W2034830160","https://openalex.org/W2035687084","https://openalex.org/W2036881158","https://openalex.org/W2039446688","https://openalex.org/W2039781258","https://openalex.org/W2041430035","https://openalex.org/W2056211855","https://openalex.org/W2060116150","https://openalex.org/W2065467467","https://openalex.org/W2066795144","https://openalex.org/W2069788430","https://openalex.org/W2079993405","https://openalex.org/W2080315999","https://openalex.org/W2080454718","https://openalex.org/W2085213650","https://openalex.org/W2091701505","https://openalex.org/W2091707670","https://openalex.org/W2093221728","https://openalex.org/W2095997872","https://openalex.org/W2103325328","https://openalex.org/W2106140689","https://openalex.org/W2120019026","https://openalex.org/W2140261016","https://openalex.org/W2143592395","https://openalex.org/W2147993766","https://openalex.org/W2158248380","https://openalex.org/W2160457405","https://openalex.org/W2164182106","https://openalex.org/W2404280981","https://openalex.org/W2570547882","https://openalex.org/W2760982347","https://openalex.org/W2768702618","https://openalex.org/W2774984260","https://openalex.org/W2783073729","https://openalex.org/W2788680453","https://openalex.org/W2897845851","https://openalex.org/W2968671507","https://openalex.org/W2994704584","https://openalex.org/W3000322482","https://openalex.org/W3100810942","https://openalex.org/W3103293462","https://openalex.org/W3189465577","https://openalex.org/W3215646490","https://openalex.org/W3217549866","https://openalex.org/W4200562753","https://openalex.org/W4221015780","https://openalex.org/W4387953104","https://openalex.org/W4389028112","https://openalex.org/W4390097302","https://openalex.org/W4391383420","https://openalex.org/W4391533923","https://openalex.org/W4391576521","https://openalex.org/W4400934620","https://openalex.org/W4400974616","https://openalex.org/W4401942350"],"related_works":["https://openalex.org/W2079371706","https://openalex.org/W2065497878","https://openalex.org/W2264704161","https://openalex.org/W2161095895","https://openalex.org/W2171457335","https://openalex.org/W2029889270","https://openalex.org/W2340513054","https://openalex.org/W152506147","https://openalex.org/W2012553164","https://openalex.org/W1773535258"],"abstract_inverted_index":{"The":[0,33],"\u03b2-1,4":[1,5,104,205],"galactosylation":[2,67],"catalyzed":[3],"by":[4,164],"galactosyltransferases":[6],"(\u03b24Gal-Ts)":[7],"is":[8,38,151],"not":[9,78],"only":[10],"closely":[11],"associated":[12],"with":[13,61,174],"diverse":[14],"physiological":[15],"and":[16,54,147,162,167,192],"pathological":[17],"processes":[18],"in":[19,25,44,73],"humans":[20],"but":[21],"also":[22],"widely":[23],"applied":[24],"the":[26,45,66,70,100,122,156,160,186,190],"N":[27],"-glycan":[28],"modification":[29],"of":[30,36,48,93,115,131,159,189,201,204],"protein":[31],"glycoengineering.":[32],"loop-closing":[34,75,101,157,187],"process":[35],"\u03b24Gal-Ts":[37,150],"an":[39],"essential":[40],"intermediate":[41],"step":[42],"intervening":[43],"binding":[46],"events":[47],"donor":[49],"substrate":[50,56,118],"(UDP-Gal/Mn":[51],"2+":[52],")":[53],"acceptor":[55],"during":[57],"its":[58],"catalytic":[59,202],"cycle,":[60],"a":[62,128,135,198],"significant":[63],"impact":[64],"on":[65,89,127,194],"activities.":[68],"However,":[69],"molecular":[71,95],"mechanisms":[72,203],"regulating":[74],"dynamics":[76,96,102,158,188],"are":[77],"entirely":[79],"clear.":[80],"Here,":[81],"we":[82],"construct":[83],"Markov":[84],"state":[85],"models":[86],"(MSMs)":[87],"based":[88],"approximately":[90],"20":[91],"\u03bcs":[92],"all-atom":[94],"simulations":[97],"to":[98,153,197],"explore":[99],"for":[103,155],"galactosyltransferase":[105],"1":[106],"(\u03b24Gal-T1).":[107],"Our":[108],"MSM":[109],"reveals":[110],"five":[111],"key":[112],"metastable":[113],"states":[114],"\u03b24Gal-T1":[116],"upon":[117],"binding,":[119],"indicating":[120],"that":[121],"entire":[123],"conformational":[124],"transition":[125],"occurs":[126],"time":[129],"scale":[130],"\u223c10":[132],"\u03bcs.":[133],"Moreover,":[134],"regulatory":[136],"mechanism":[137],"involving":[138],"six":[139],"conserved":[140],"residues":[141],"(R187,":[142],"H190,":[143],"F222,":[144],"W310,":[145],"I341,":[146],"D346)":[148],"among":[149],"validated":[152],"account":[154],"C-loop":[161,191],"W-loop":[163,193],"site-directed":[165],"mutagenesis":[166],"enzymatic":[168],"activity":[169],"assays,":[170],"exhibiting":[171],"high":[172],"consistency":[173],"our":[175,179],"computational":[176],"predictions.":[177],"Overall,":[178],"research":[180],"proposes":[181],"detailed":[182],"atomic-level":[183],"insight":[184],"into":[185],"\u03b24Gal-T1,":[195],"contributing":[196],"deeper":[199],"understanding":[200],"galactosylation.":[206]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":7}],"updated_date":"2026-06-15T08:34:33.830935","created_date":"2025-10-10T00:00:00"}