{"id":"https://openalex.org/W4387267797","doi":"https://doi.org/10.1021/acs.jcim.3c01267","title":"Unveiling Medin Folding and Dimerization Dynamics and Conformations via Atomistic Discrete Molecular Dynamics Simulations","display_name":"Unveiling Medin Folding and Dimerization Dynamics and Conformations via Atomistic Discrete Molecular Dynamics Simulations","publication_year":2023,"publication_date":"2023-10-02","ids":{"openalex":"https://openalex.org/W4387267797","doi":"https://doi.org/10.1021/acs.jcim.3c01267","pmid":"https://pubmed.ncbi.nlm.nih.gov/37782573"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.3c01267","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c01267","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://pmc.ncbi.nlm.nih.gov/articles/PMC10752383/pdf/nihms-1950650.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5010075133","display_name":"Fengjuan Huang","orcid":"https://orcid.org/0000-0003-1846-6725"},"institutions":[{"id":"https://openalex.org/I4210113377","display_name":"Ningbo Medical Center Lihuili Hospital","ror":"https://ror.org/030zcqn97","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210113377"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Fengjuan Huang","raw_affiliation_strings":["Ningbo Institute of Innovation for Combined Medicine and Engineering (NIIME), Ningbo Medical Center Lihuili Hospital, Ningbo 315211, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Ningbo Institute of Innovation for Combined Medicine and Engineering (NIIME), Ningbo Medical Center Lihuili Hospital, Ningbo 315211, China","institution_ids":["https://openalex.org/I4210113377"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023255450","display_name":"Xinjie Fan","orcid":null},"institutions":[{"id":"https://openalex.org/I109935558","display_name":"Ningbo University","ror":"https://ror.org/03et85d35","country_code":"CN","type":"education","lineage":["https://openalex.org/I109935558"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xinjie Fan","raw_affiliation_strings":["School of Physical Science and Technology, Ningbo University, Ningbo 315211, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physical Science and Technology, Ningbo University, Ningbo 315211, China","institution_ids":["https://openalex.org/I109935558"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5092042487","display_name":"Ying Wang","orcid":null},"institutions":[{"id":"https://openalex.org/I109935558","display_name":"Ningbo University","ror":"https://ror.org/03et85d35","country_code":"CN","type":"education","lineage":["https://openalex.org/I109935558"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ying Wang","raw_affiliation_strings":["School of Physical Science and Technology, Ningbo University, Ningbo 315211, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Physical Science and Technology, Ningbo University, Ningbo 315211, China","institution_ids":["https://openalex.org/I109935558"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100434691","display_name":"Chuang Wang","orcid":"https://orcid.org/0000-0002-3816-230X"},"institutions":[{"id":"https://openalex.org/I109935558","display_name":"Ningbo University","ror":"https://ror.org/03et85d35","country_code":"CN","type":"education","lineage":["https://openalex.org/I109935558"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chuang Wang","raw_affiliation_strings":["School of Medicine, Ningbo University, Ningbo 315211, China"],"raw_orcid":"https://orcid.org/0000-0002-3816-230X","affiliations":[{"raw_affiliation_string":"School of Medicine, Ningbo University, Ningbo 315211, China","institution_ids":["https://openalex.org/I109935558"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067817485","display_name":"Yu Zou","orcid":"https://orcid.org/0000-0001-5699-5869"},"institutions":[{"id":"https://openalex.org/I76130692","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884","country_code":"CN","type":"education","lineage":["https://openalex.org/I76130692"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yu Zou","raw_affiliation_strings":["Department of Sport and Exercise Science, Zhejiang University, Hangzhou 310058, China"],"raw_orcid":"https://orcid.org/0000-0001-5699-5869","affiliations":[{"raw_affiliation_string":"Department of Sport and Exercise Science, Zhejiang University, Hangzhou 310058, China","institution_ids":["https://openalex.org/I76130692"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101683471","display_name":"Jiangfang Lian","orcid":"https://orcid.org/0009-0002-5038-2775"},"institutions":[{"id":"https://openalex.org/I4210113377","display_name":"Ningbo Medical Center Lihuili Hospital","ror":"https://ror.org/030zcqn97","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210113377"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jiangfang Lian","raw_affiliation_strings":["Ningbo Institute of Innovation for Combined Medicine and Engineering (NIIME), Ningbo Medical Center Lihuili Hospital, Ningbo 315211, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Ningbo Institute of Innovation for Combined Medicine and Engineering (NIIME), Ningbo Medical Center Lihuili Hospital, Ningbo 315211, China","institution_ids":["https://openalex.org/I4210113377"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100626869","display_name":"Feng Ding","orcid":null},"institutions":[{"id":"https://openalex.org/I8078737","display_name":"Clemson University","ror":"https://ror.org/037s24f05","country_code":"US","type":"education","lineage":["https://openalex.org/I8078737"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Feng Ding","raw_affiliation_strings":["Department of Physics and Astronomy, Clemson University, Clemson, South Carolina 29634, United States"],"raw_orcid":"https://orcid.org/0000-0003-1850-6336","affiliations":[{"raw_affiliation_string":"Department of Physics and Astronomy, Clemson University, Clemson, South Carolina 29634, United States","institution_ids":["https://openalex.org/I8078737"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5015199573","display_name":"Yunxiang Sun","orcid":"https://orcid.org/0000-0001-9799-7131"},"institutions":[{"id":"https://openalex.org/I109935558","display_name":"Ningbo University","ror":"https://ror.org/03et85d35","country_code":"CN","type":"education","lineage":["https://openalex.org/I109935558"]},{"id":"https://openalex.org/I8078737","display_name":"Clemson University","ror":"https://ror.org/037s24f05","country_code":"US","type":"education","lineage":["https://openalex.org/I8078737"]}],"countries":["CN","US"],"is_corresponding":true,"raw_author_name":"Yunxiang Sun","raw_affiliation_strings":["Department of Physics and Astronomy, Clemson University, Clemson, South Carolina 29634, United States","School of Physical Science and Technology, Ningbo University, Ningbo 315211, China"],"raw_orcid":"https://orcid.org/0000-0001-9799-7131","affiliations":[{"raw_affiliation_string":"Department of Physics and Astronomy, Clemson University, Clemson, South Carolina 29634, United States","institution_ids":["https://openalex.org/I8078737"]},{"raw_affiliation_string":"School of Physical Science and Technology, Ningbo University, Ningbo 315211, China","institution_ids":["https://openalex.org/I109935558"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5015199573","https://openalex.org/A5100626869","https://openalex.org/A5101683471"],"corresponding_institution_ids":["https://openalex.org/I109935558","https://openalex.org/I4210113377","https://openalex.org/I8078737"],"apc_list":null,"apc_paid":null,"fwci":1.6765,"has_fulltext":true,"cited_by_count":10,"citation_normalized_percentile":{"value":0.84558102,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":95,"max":98},"biblio":{"volume":"63","issue":"20","first_page":"6376","last_page":"6385"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10086","display_name":"Alzheimer's disease research and treatments","score":0.9994000196456909,"subfield":{"id":"https://openalex.org/subfields/2737","display_name":"Physiology"},"field":{"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/T10086","display_name":"Alzheimer's disease research and treatments","score":0.9994000196456909,"subfield":{"id":"https://openalex.org/subfields/2737","display_name":"Physiology"},"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9988999962806702,"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/chemistry","display_name":"Chemistry","score":0.6599881649017334},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.6106570959091187},{"id":"https://openalex.org/keywords/folding","display_name":"Folding (DSP implementation)","score":0.6000343561172485},{"id":"https://openalex.org/keywords/monomer","display_name":"Monomer","score":0.5993832349777222},{"id":"https://openalex.org/keywords/fibril","display_name":"Fibril","score":0.5094264149665833},{"id":"https://openalex.org/keywords/dimer","display_name":"Dimer","score":0.4962528347969055},{"id":"https://openalex.org/keywords/oligomer","display_name":"Oligomer","score":0.46990153193473816},{"id":"https://openalex.org/keywords/amyloid","display_name":"Amyloid (mycology)","score":0.41356921195983887},{"id":"https://openalex.org/keywords/biophysics","display_name":"Biophysics","score":0.3869539201259613},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.16589930653572083},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.10157150030136108},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.08591124415397644},{"id":"https://openalex.org/keywords/polymer","display_name":"Polymer","score":0.08129030466079712}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6599881649017334},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.6106570959091187},{"id":"https://openalex.org/C2776545253","wikidata":"https://www.wikidata.org/wiki/Q5464292","display_name":"Folding (DSP implementation)","level":2,"score":0.6000343561172485},{"id":"https://openalex.org/C166940927","wikidata":"https://www.wikidata.org/wiki/Q178827","display_name":"Monomer","level":3,"score":0.5993832349777222},{"id":"https://openalex.org/C27523624","wikidata":"https://www.wikidata.org/wiki/Q14860849","display_name":"Fibril","level":2,"score":0.5094264149665833},{"id":"https://openalex.org/C2779546866","wikidata":"https://www.wikidata.org/wiki/Q531306","display_name":"Dimer","level":2,"score":0.4962528347969055},{"id":"https://openalex.org/C2780642029","wikidata":"https://www.wikidata.org/wiki/Q726004","display_name":"Oligomer","level":2,"score":0.46990153193473816},{"id":"https://openalex.org/C2777633098","wikidata":"https://www.wikidata.org/wiki/Q2736051","display_name":"Amyloid (mycology)","level":2,"score":0.41356921195983887},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.3869539201259613},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.16589930653572083},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.10157150030136108},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.08591124415397644},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.08129030466079712},{"id":"https://openalex.org/C119599485","wikidata":"https://www.wikidata.org/wiki/Q43035","display_name":"Electrical engineering","level":1,"score":0.0},{"id":"https://openalex.org/C179104552","wikidata":"https://www.wikidata.org/wiki/Q11165","display_name":"Inorganic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000072757","descriptor_name":"Protein Conformation, beta-Strand","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000072757","descriptor_name":"Protein Conformation, beta-Strand","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000072757","descriptor_name":"Protein Conformation, beta-Strand","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000072757","descriptor_name":"Protein Conformation, beta-Strand","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000072757","descriptor_name":"Protein Conformation, beta-Strand","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000072757","descriptor_name":"Protein Conformation, beta-Strand","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000682","descriptor_name":"Amyloid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000682","descriptor_name":"Amyloid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000682","descriptor_name":"Amyloid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000682","descriptor_name":"Amyloid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000682","descriptor_name":"Amyloid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000682","descriptor_name":"Amyloid","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":"D008875","descriptor_name":"Middle Aged","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008875","descriptor_name":"Middle Aged","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008875","descriptor_name":"Middle Aged","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008875","descriptor_name":"Middle Aged","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008875","descriptor_name":"Middle Aged","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008875","descriptor_name":"Middle Aged","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016229","descriptor_name":"Amyloid beta-Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016229","descriptor_name":"Amyloid beta-Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016229","descriptor_name":"Amyloid beta-Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016229","descriptor_name":"Amyloid beta-Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016229","descriptor_name":"Amyloid beta-Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016229","descriptor_name":"Amyloid beta-Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019281","descriptor_name":"Dimerization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019281","descriptor_name":"Dimerization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019281","descriptor_name":"Dimerization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019281","descriptor_name":"Dimerization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019281","descriptor_name":"Dimerization","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019281","descriptor_name":"Dimerization","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}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.3c01267","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c01267","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:37782573","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37782573","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:10752383","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10752383","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10752383/pdf/nihms-1950650.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"}],"best_oa_location":{"id":"pmh:oai:pubmedcentral.nih.gov:10752383","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10752383","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10752383/pdf/nihms-1950650.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"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G5366165637","display_name":"\u6dc0\u7c89\u6837\u86cb\u767d\u75c5\u7406\u6027\u805a\u96c6\u53ca\u03b1B-crystallin\u5185\u6e90\u6027\u86cb\u767d\u5bf9\u5176\u8c03\u63a7\u673a\u5236\u7684\u5206\u5b50\u6a21\u62df\u7814\u7a76","funder_award_id":"11904189","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G7107688225","display_name":null,"funder_award_id":"82171527","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G712052062","display_name":null,"funder_award_id":"R35GM145409","funder_id":"https://openalex.org/F4320337354","funder_display_name":"National Institute of General Medical Sciences"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320337354","display_name":"National Institute of General Medical Sciences","ror":"https://ror.org/04q48ey07"}],"has_content":{"grobid_xml":false,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4387267797.pdf"},"referenced_works_count":59,"referenced_works":["https://openalex.org/W1985006546","https://openalex.org/W1993028164","https://openalex.org/W2000464699","https://openalex.org/W2008708467","https://openalex.org/W2016566401","https://openalex.org/W2030325989","https://openalex.org/W2033085140","https://openalex.org/W2034128254","https://openalex.org/W2038455600","https://openalex.org/W2046457349","https://openalex.org/W2047289990","https://openalex.org/W2054881399","https://openalex.org/W2082923159","https://openalex.org/W2092511209","https://openalex.org/W2097758424","https://openalex.org/W2107696550","https://openalex.org/W2108257090","https://openalex.org/W2110919541","https://openalex.org/W2118780761","https://openalex.org/W2145727014","https://openalex.org/W2146462263","https://openalex.org/W2153376312","https://openalex.org/W2161605421","https://openalex.org/W2162166182","https://openalex.org/W2164394235","https://openalex.org/W2165779834","https://openalex.org/W2187470614","https://openalex.org/W2229673765","https://openalex.org/W2555870966","https://openalex.org/W2584250209","https://openalex.org/W2597780090","https://openalex.org/W2732353898","https://openalex.org/W2810022805","https://openalex.org/W2891501660","https://openalex.org/W2896637074","https://openalex.org/W2903257335","https://openalex.org/W2942624373","https://openalex.org/W2953286530","https://openalex.org/W3000646041","https://openalex.org/W3006260373","https://openalex.org/W3023404704","https://openalex.org/W3080476288","https://openalex.org/W3081015045","https://openalex.org/W3084114732","https://openalex.org/W3121291085","https://openalex.org/W3136352688","https://openalex.org/W3164181246","https://openalex.org/W3198819176","https://openalex.org/W3208154667","https://openalex.org/W4200206534","https://openalex.org/W4283023253","https://openalex.org/W4288384610","https://openalex.org/W4293858368","https://openalex.org/W4294916328","https://openalex.org/W4307178925","https://openalex.org/W4309410174","https://openalex.org/W4310520100","https://openalex.org/W4378640276","https://openalex.org/W4378782189"],"related_works":["https://openalex.org/W2292512574","https://openalex.org/W1829912350","https://openalex.org/W2383441779","https://openalex.org/W345422279","https://openalex.org/W2054446568","https://openalex.org/W4390063994","https://openalex.org/W2042932796","https://openalex.org/W2026233938","https://openalex.org/W3168207341","https://openalex.org/W2058665532"],"abstract_inverted_index":{"Medin":[0,113],"is":[1],"a":[2,124,135,139,179,186,244],"principal":[3],"component":[4],"of":[5,12,34,43,56,91,97,106,117,144,158,164,174,206,238,247,263],"localized":[6],"amyloid":[7,19,221,236],"found":[8],"in":[9,212],"the":[10,32,41,44,53,69,88,92,95,149,156,172,203,207,214,219,248,261],"vasculature":[11],"individuals":[13],"over":[14],"50":[15],"years":[16],"old.":[17],"Its":[18],"aggregation":[20,58,141,162,237],"has":[21],"been":[22],"linked":[23],"to":[24,31,109,155,194],"endothelial":[25],"dysfunction":[26],"and":[27,48,52,72,75,101,166,176,189,192,197,209,217,251],"vascular":[28,36],"inflammation,":[29],"contributing":[30],"pathogenesis":[33],"various":[35],"diseases.":[37],"Despite":[38],"its":[39],"significance,":[40],"structures":[42],"medin":[45,57,70,93,130,145,220,264],"monomer,":[46],"oligomer,":[47],"fibril":[49],"remain":[50],"elusive,":[51],"dynamic":[54,125],"processes":[55],"are":[59],"not":[60,146],"fully":[61],"understood.":[62],"In":[63],"this":[64],"study,":[65],"we":[66],"comprehensively":[67],"investigated":[68],"folding":[71,89],"dimerization":[73,252],"dynamics":[74,81,253],"conformations":[76,151,250],"using":[77],"atomistic":[78],"discrete":[79],"molecular":[80],"simulations.":[82],"Our":[83],"simulation":[84],"results":[85],"suggested":[86],"that":[87],"initiation":[90],"involved":[94],"formation":[96,157],"\u03b2-sheets":[98],"around":[99],"medin30\u201341":[100,175,208],"medin42\u201350,":[102],"with":[103,123],"subsequent":[104],"capping":[105],"other":[107],"segments":[108,173],"their":[110],"\u03b2-sheet":[111,150,187],"edges.":[112],"monomers":[114],"typically":[115],"consisted":[116],"three":[118],"or":[119],"four":[120],"\u03b2-strands,":[121],"along":[122],"N-terminal":[126],"helix.":[127],"Two":[128],"isolated":[129],"peptides":[131],"readily":[132],"aggregated":[133],"into":[134],"\u03b2-sheet-rich":[136],"dimer,":[137],"displaying":[138],"strong":[140],"propensity.":[142],"Dimerization":[143],"only":[147],"enhanced":[148],"but":[152],"also":[153],"led":[154],"\u03b2-barrel":[159],"oligomers.":[160],"The":[161,200],"tendencies":[163],"medin1\u201318":[165,191],"medin19\u201329":[167,193],"were":[168],"relatively":[169],"weak.":[170],"However,":[171],"medin42\u201350":[177,210],"played":[178],"crucial":[180],"role":[181,205],"as":[182,228],"they":[183],"primarily":[184],"formed":[185],"core":[188],"facilitated":[190],"form":[195],"intra-":[196],"interpeptide":[198],"\u03b2-sheets.":[199],"findings":[201],"highlight":[202],"critical":[204],"regions":[211,224],"stabilizing":[213],"monomer":[215,249],"structure":[216],"driving":[218],"aggregation.":[222,265],"These":[223],"could":[225],"potentially":[226],"serve":[227],"promising":[229],"targets":[230],"for":[231,254],"designing":[232],"antiamyloid":[233],"inhibitors":[234],"against":[235],"medin.":[239],"Additionally,":[240],"our":[241],"study":[242],"provides":[243],"full":[245],"picture":[246],"medin,":[255],"which":[256],"will":[257],"help":[258],"better":[259],"understand":[260],"pathology":[262]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":5}],"updated_date":"2026-06-06T09:05:17.133730","created_date":"2025-10-10T00:00:00"}