{"id":"https://openalex.org/W4414466528","doi":"https://doi.org/10.1038/s41598-025-18339-6","title":"The dynamic states of hepatitis B virus capsid monomers under the impact of different class of capsid-assembly modulators","display_name":"The dynamic states of hepatitis B virus capsid monomers under the impact of different class of capsid-assembly modulators","publication_year":2025,"publication_date":"2025-09-24","ids":{"openalex":"https://openalex.org/W4414466528","doi":"https://doi.org/10.1038/s41598-025-18339-6","pmid":"https://pubmed.ncbi.nlm.nih.gov/40993170","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/12460643"},"language":"en","primary_location":{"id":"doi:10.1038/s41598-025-18339-6","doi":"https://doi.org/10.1038/s41598-025-18339-6","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41598-025-18339-6","pdf_url":null,"source":{"id":"https://openalex.org/S196734849","display_name":"Scientific Reports","issn_l":"2045-2322","issn":["2045-2322"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"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":"Scientific Reports","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W4414466528"],"child_works_count":0,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1038/s41598-025-18339-6","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5069055225","display_name":"Fatemeh Sana Askari","orcid":"https://orcid.org/0000-0003-2662-8659","observed_orcids":["https://orcid.org/0000-0003-2662-8659"]},"institutions":[{"id":"https://openalex.org/I4210127922","display_name":"Golestan University of Medical Sciences","ror":"https://ror.org/03mcx2558","country_code":"IR","type":"education","lineage":["https://openalex.org/I4210127922"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Fatemeh Sana Askari","raw_affiliation_strings":["Department of Microbiology, School of Medicine, Golestan Iran University of Medical Sciences, Gorgan, Iran","Vista Aria Rena Gene Inc, Gorgan, Golestan Province, Iran"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Microbiology, School of Medicine, Golestan Iran University of Medical Sciences, Gorgan, Iran","institution_ids":["https://openalex.org/I4210127922"]},{"raw_affiliation_string":"Vista Aria Rena Gene Inc, Gorgan, Golestan Province, Iran","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5047969704","display_name":"Alireza Mohebbi","orcid":"https://orcid.org/0000-0003-2489-585X","observed_orcids":["https://orcid.org/0000-0003-2489-585X","https://orcid.org/0000-0002-0203-7347"]},"institutions":[{"id":"https://openalex.org/I161106909","display_name":"Iran University of Medical Sciences","ror":"https://ror.org/03w04rv71","country_code":"IR","type":"education","lineage":["https://openalex.org/I161106909"]}],"countries":["IR"],"is_corresponding":true,"raw_author_name":"Alireza Mohebbi","raw_affiliation_strings":["Department of Virology, School of Medicine, Iran University of Medical Sciences, Tehran, Iran. Alirezaa2s@gmail.com","Vista Aria Rena Gene Inc, Gorgan, Golestan Province, Iran. Alirezaa2s@gmail.com","Department of Virology, School of Medicine, Iran University of Medical Sciences, Tehran, Iran"],"raw_orcid":"https://orcid.org/0000-0003-2489-585X","affiliations":[{"raw_affiliation_string":"Department of Virology, School of Medicine, Iran University of Medical Sciences, Tehran, Iran. Alirezaa2s@gmail.com","institution_ids":["https://openalex.org/I161106909"]},{"raw_affiliation_string":"Vista Aria Rena Gene Inc, Gorgan, Golestan Province, Iran. Alirezaa2s@gmail.com","institution_ids":[]},{"raw_affiliation_string":"Department of Virology, School of Medicine, Iran University of Medical Sciences, Tehran, Iran","institution_ids":["https://openalex.org/I161106909"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5047969704"],"corresponding_institution_ids":["https://openalex.org/I161106909"],"apc_list":{"value":2690,"currency":"USD","value_usd":2690},"apc_paid":{"value":2690,"currency":"USD","value_usd":2690},"fwci":2.7325,"has_fulltext":true,"cited_by_count":5,"citation_normalized_percentile":{"value":0.88985436,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":97,"max":98},"biblio":{"volume":"15","issue":"1","first_page":"32731","last_page":"32731"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10340","display_name":"Hepatitis B Virus Studies","score":0.5907999873161316,"subfield":{"id":"https://openalex.org/subfields/2713","display_name":"Epidemiology"},"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/T10340","display_name":"Hepatitis B Virus Studies","score":0.5907999873161316,"subfield":{"id":"https://openalex.org/subfields/2713","display_name":"Epidemiology"},"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":0.38089999556541443,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.00930000003427267,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/hepatitis-b-virus","display_name":"hepatitis B virus","score":0.9919999837875366},{"id":"https://openalex.org/keywords/capsid-assembly-modulators","display_name":"capsid assembly modulators","score":0.9620000123977661},{"id":"https://openalex.org/keywords/hbcag","display_name":"HBcAg","score":0.8769999742507935},{"id":"https://openalex.org/keywords/ciclopirox","display_name":"ciclopirox","score":0.9520000219345093},{"id":"https://openalex.org/keywords/protein-ligand-binding","display_name":"protein-ligand binding","score":0.8069999814033508},{"id":"https://openalex.org/keywords/protein-flexibility","display_name":"protein flexibility","score":0.8679999709129333},{"id":"https://openalex.org/keywords/salt-bridges","display_name":"salt bridges","score":0.7139999866485596},{"id":"https://openalex.org/keywords/secondary-structure","display_name":"secondary structure","score":0.5640000104904175},{"id":"https://openalex.org/keywords/antiviral-drug-design","display_name":"antiviral drug design","score":0.9169999957084656}],"concepts":[{"id":"https://openalex.org/C2779729466","wikidata":"https://www.wikidata.org/wiki/Q24723361","display_name":"HBcAg","level":5,"score":0.9415000081062317},{"id":"https://openalex.org/C202878990","wikidata":"https://www.wikidata.org/wiki/Q830465","display_name":"Capsid","level":3,"score":0.8665000200271606},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5802000164985657},{"id":"https://openalex.org/C53105671","wikidata":"https://www.wikidata.org/wiki/Q14777816","display_name":"Rational design","level":2,"score":0.5562000274658203},{"id":"https://openalex.org/C30765947","wikidata":"https://www.wikidata.org/wiki/Q899119","display_name":"Salt bridge","level":4,"score":0.5523999929428101},{"id":"https://openalex.org/C12554922","wikidata":"https://www.wikidata.org/wiki/Q7100","display_name":"Biophysics","level":1,"score":0.5221999883651733},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5013999938964844},{"id":"https://openalex.org/C2780593183","wikidata":"https://www.wikidata.org/wiki/Q6844","display_name":"Hepatitis B virus","level":3,"score":0.4756999909877777},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.3874000012874603},{"id":"https://openalex.org/C11804247","wikidata":"https://www.wikidata.org/wiki/Q896177","display_name":"Protein\u2013protein interaction","level":2,"score":0.3831999897956848},{"id":"https://openalex.org/C166940927","wikidata":"https://www.wikidata.org/wiki/Q178827","display_name":"Monomer","level":3,"score":0.37209999561309814},{"id":"https://openalex.org/C159047783","wikidata":"https://www.wikidata.org/wiki/Q7215","display_name":"Virology","level":1,"score":0.35760000348091125},{"id":"https://openalex.org/C95444343","wikidata":"https://www.wikidata.org/wiki/Q7141","display_name":"Cell biology","level":1,"score":0.33640000224113464},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.3336000144481659},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.3278999924659729},{"id":"https://openalex.org/C191120209","wikidata":"https://www.wikidata.org/wiki/Q908902","display_name":"Structural biology","level":2,"score":0.3239000141620636},{"id":"https://openalex.org/C2522874641","wikidata":"https://www.wikidata.org/wiki/Q808","display_name":"Virus","level":2,"score":0.3091999888420105},{"id":"https://openalex.org/C47701112","wikidata":"https://www.wikidata.org/wiki/Q735188","display_name":"Protein structure","level":2,"score":0.30410000681877136},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.298799991607666},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.29829999804496765},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.28110000491142273},{"id":"https://openalex.org/C132677234","wikidata":"https://www.wikidata.org/wiki/Q3273544","display_name":"Structural motif","level":2,"score":0.2754000127315521},{"id":"https://openalex.org/C62614982","wikidata":"https://www.wikidata.org/wiki/Q904984","display_name":"Protein secondary structure","level":2,"score":0.2703999876976013},{"id":"https://openalex.org/C20702342","wikidata":"https://www.wikidata.org/wiki/Q5190506","display_name":"Cryo-electron microscopy","level":2,"score":0.2687000036239624},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.2615000009536743},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.26089999079704285},{"id":"https://openalex.org/C2777339483","wikidata":"https://www.wikidata.org/wiki/Q647203","display_name":"Conformational change","level":2,"score":0.25679999589920044},{"id":"https://openalex.org/C58475186","wikidata":"https://www.wikidata.org/wiki/Q4118894","display_name":"Viral entry","level":4,"score":0.2540000081062317}],"mesh":[{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001549","descriptor_name":"Benzamides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002213","descriptor_name":"Capsid","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D002213","descriptor_name":"Capsid","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D002213","descriptor_name":"Capsid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D006512","descriptor_name":"Hepatitis B Core Antigens","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D006512","descriptor_name":"Hepatitis B Core Antigens","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D006515","descriptor_name":"Hepatitis B virus","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D006515","descriptor_name":"Hepatitis B virus","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D006515","descriptor_name":"Hepatitis B virus","qualifier_ui":"Q000502","qualifier_name":"physiology","is_major_topic":true},{"descriptor_ui":"D006515","descriptor_name":"Hepatitis B virus","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":"D011743","descriptor_name":"Pyrimidines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D011743","descriptor_name":"Pyrimidines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019065","descriptor_name":"Virus Assembly","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":6,"locations":[{"id":"doi:10.1038/s41598-025-18339-6","doi":"https://doi.org/10.1038/s41598-025-18339-6","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41598-025-18339-6","pdf_url":null,"source":{"id":"https://openalex.org/S196734849","display_name":"Scientific Reports","issn_l":"2045-2322","issn":["2045-2322"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"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":"Scientific Reports","raw_type":"journal-article"},{"id":"doi:10.21203/rs.3.rs-6244861/v1","doi":"https://doi.org/10.21203/rs.3.rs-6244861/v1","is_oa":true,"landing_page_url":"https://doi.org/10.21203/rs.3.rs-6244861/v1","pdf_url":null,"source":{"id":"https://openalex.org/S4306525896","display_name":"Research Square","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Research Square","raw_type":"posted-content"},{"id":"pmh:oai:pubmedcentral.nih.gov:12460643","doi":null,"is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC12460643/","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC12460643/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,"listed_in":[],"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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Sci Rep","raw_type":"Text"},{"id":"pmh:oai:europepmc.org:11269327","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/12460643","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"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":null,"raw_type":"Text"},{"id":"pmid:40993170","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/40993170","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,"listed_in":[],"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":"Scientific reports","raw_type":"Journal Article"},{"id":"pmh:oai:doaj.org/article:7ca92d205843493bae9c48164752bdff","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/7ca92d205843493bae9c48164752bdff","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Scientific Reports, Vol 15, Iss 1, Pp 1-21 (2025)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1038/s41598-025-18339-6","doi":"https://doi.org/10.1038/s41598-025-18339-6","is_oa":true,"landing_page_url":"https://doi.org/10.1038/s41598-025-18339-6","pdf_url":null,"source":{"id":"https://openalex.org/S196734849","display_name":"Scientific Reports","issn_l":"2045-2322","issn":["2045-2322"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-class-a","anvur-scientific","cwts-core","doaj","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310319908","host_organization_name":"Nature Portfolio","host_organization_lineage":["https://openalex.org/P4310319908","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Nature Portfolio","Springer Nature"],"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":"Scientific Reports","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.4043000042438507}],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4414466528.pdf","grobid_xml":"https://content.openalex.org/works/W4414466528.grobid-xml"},"referenced_works_count":55,"referenced_works":["https://openalex.org/W1491824558","https://openalex.org/W1787138288","https://openalex.org/W1964439982","https://openalex.org/W2007604309","https://openalex.org/W2010171823","https://openalex.org/W2025242525","https://openalex.org/W2070753604","https://openalex.org/W2089527788","https://openalex.org/W2139950567","https://openalex.org/W2152986015","https://openalex.org/W2161002652","https://openalex.org/W2413863779","https://openalex.org/W2514704991","https://openalex.org/W2557709383","https://openalex.org/W2562057671","https://openalex.org/W2588574024","https://openalex.org/W2620405889","https://openalex.org/W2796154244","https://openalex.org/W2800650932","https://openalex.org/W2801744044","https://openalex.org/W2909979680","https://openalex.org/W2913636772","https://openalex.org/W2939267111","https://openalex.org/W2998726952","https://openalex.org/W3041179967","https://openalex.org/W3126599555","https://openalex.org/W3166675638","https://openalex.org/W3174703716","https://openalex.org/W3193603801","https://openalex.org/W3211183605","https://openalex.org/W4200047075","https://openalex.org/W4206082932","https://openalex.org/W4220881031","https://openalex.org/W4295068543","https://openalex.org/W4318340614","https://openalex.org/W4319660733","https://openalex.org/W4366083136","https://openalex.org/W4367173995","https://openalex.org/W4384946516","https://openalex.org/W4386271797","https://openalex.org/W4389194357","https://openalex.org/W4392003401","https://openalex.org/W4392289846","https://openalex.org/W4400363736","https://openalex.org/W4402193777","https://openalex.org/W4402215435","https://openalex.org/W4402758970","https://openalex.org/W4403245384","https://openalex.org/W4404164139","https://openalex.org/W4404200517","https://openalex.org/W4406347353","https://openalex.org/W4407917655","https://openalex.org/W4409754073","https://openalex.org/W4410112251","https://openalex.org/W4410696201"],"related_works":["https://openalex.org/W3215701917","https://openalex.org/W7128433316","https://openalex.org/W4220881031","https://openalex.org/W4399112985","https://openalex.org/W3005452142","https://openalex.org/W4403245384","https://openalex.org/W4319872071","https://openalex.org/W4413407048","https://openalex.org/W4318340614"],"abstract_inverted_index":{"Hepatitis":[0],"B":[1],"virus":[2],"(HBV)":[3],"remains":[4],"a":[5,14],"global":[6],"health":[7],"challenge.":[8],"Capsid":[9],"assembly":[10],"modulators":[11],"(CAMs)":[12],"represent":[13],"promising":[15],"class":[16],"of":[17,33,42,58,68,203],"antiviral":[18,44,205],"agents":[19],"that":[20,92,110,137,152],"disrupt":[21],"HBV":[22],"core":[23,182],"antigen":[24],"(HBcAg)":[25],"function.":[26],"Understanding":[27],"the":[28,40,55,130,140,162,181,200],"structural":[29,165,210],"and":[30,63,74,86,102,115,159,185,207],"dynamic":[31],"impact":[32,81],"CAMs":[34,153],"on":[35,82],"HBcAg":[36,83,105],"is":[37],"crucial":[38],"for":[39,212],"development":[41],"next-generation":[43],"therapies.":[45],"This":[46,167],"study":[47,168],"employed":[48],"molecular":[49],"dynamics":[50],"(MD)":[51],"simulations":[52],"to":[53,78,191,199],"evaluate":[54],"conformational":[56,174],"behavior":[57],"capsid":[59],"monomers":[60],"in":[61,123,176],"unbound":[62],"ligand-bound":[64],"states.":[65],"Different":[66],"classes":[67],"CAMs,":[69],"Heteroaryldihydropyrimidine":[70],"(HAP),":[71],"Sulfamoylbenzamide":[72,128,158],"(SBA),":[73],"Ciclopirox,":[75],"were":[76],"analyzed":[77],"assess":[79],"their":[80],"stability,":[84],"flexibility,":[85,188],"interaction":[87],"energy.":[88],"RMSD":[89],"analysis":[90,135,150],"revealed":[91],"HAP":[93,179],"binding":[94],"stabilized":[95],"HBcAg,":[96],"reducing":[97],"backbone":[98],"fluctuations,":[99],"whereas":[100],"SBA":[101,184],"PPA":[103],"increased":[104],"flexibility.":[106],"RMSF":[107],"calculations":[108],"demonstrated":[109],"CAM":[111],"interactions":[112],"influenced":[113],"loop":[114],"terminal":[116],"region":[117],"dynamics.":[118],"PCA":[119],"suggested":[120],"ligand-specific":[121],"alterations":[122],"HBcAg's":[124],"essential":[125],"motions,":[126],"with":[127,157],"inducing":[129],"highest":[131],"variance.":[132],"Salt":[133],"bridge":[134],"indicated":[136],"Ciclopirox":[138,160,186],"formed":[139],"strongest":[141],"electrostatic":[142],"interactions,":[143],"stabilizing":[144],"its":[145],"binding.":[146],"DSSP":[147],"secondary":[148],"structure":[149],"showed":[151],"disrupted":[154],"\u03b1-helical":[155],"content,":[156],"exhibiting":[161],"most":[163],"pronounced":[164],"rearrangements.":[166],"provides":[169],"novel":[170],"insights":[171],"into":[172],"CAM-induced":[173],"changes":[175],"HBcAg.":[177],"While":[178],"stabilizes":[180],"protein,":[183],"increase":[187],"potentially":[189],"leading":[190],"misassembled":[192],"or":[193],"destabilized":[194],"capsids.":[195],"These":[196],"findings":[197],"contribute":[198],"rational":[201],"design":[202],"CAM-based":[204],"therapies":[206],"highlight":[208],"key":[209],"determinants":[211],"future":[213],"drug":[214],"optimization.":[215]},"counts_by_year":[{"year":2026,"cited_by_count":5}],"updated_date":"2026-11-14T11:04:58.165337","created_date":"2025-10-10T00:00:00"}