{"id":"https://openalex.org/W2807297718","doi":"https://doi.org/10.1021/acs.jcim.8b00193","title":"Molecular Dynamics Simulations of Supramolecular Anticancer Nanotubes","display_name":"Molecular Dynamics Simulations of Supramolecular Anticancer Nanotubes","publication_year":2018,"publication_date":"2018-06-01","ids":{"openalex":"https://openalex.org/W2807297718","doi":"https://doi.org/10.1021/acs.jcim.8b00193","mag":"2807297718","pmid":"https://pubmed.ncbi.nlm.nih.gov/29856610"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.8b00193","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.8b00193","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":"letter","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/6261261","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5080988809","display_name":"Myungshim Kang","orcid":"https://orcid.org/0000-0002-4778-8240"},"institutions":[{"id":"https://openalex.org/I142393192","display_name":"College of Staten Island","ror":"https://ror.org/02p179j44","country_code":"US","type":"education","lineage":["https://openalex.org/I142393192"]},{"id":"https://openalex.org/I174216632","display_name":"City University of New York","ror":"https://ror.org/00453a208","country_code":"US","type":"education","lineage":["https://openalex.org/I174216632"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Myungshim Kang","raw_affiliation_strings":["Department of Chemistry, College of Staten Island, The City University of New York, 2800 Victory Boulevard, Staten Island, New York 10314, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, College of Staten Island, The City University of New York, 2800 Victory Boulevard, Staten Island, New York 10314, United States","institution_ids":["https://openalex.org/I142393192","https://openalex.org/I174216632"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080167244","display_name":"Kaushik Chakraborty","orcid":"https://orcid.org/0000-0002-6425-0418"},"institutions":[{"id":"https://openalex.org/I142393192","display_name":"College of Staten Island","ror":"https://ror.org/02p179j44","country_code":"US","type":"education","lineage":["https://openalex.org/I142393192"]},{"id":"https://openalex.org/I174216632","display_name":"City University of New York","ror":"https://ror.org/00453a208","country_code":"US","type":"education","lineage":["https://openalex.org/I174216632"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Kaushik Chakraborty","raw_affiliation_strings":["Department of Chemistry, College of Staten Island, The City University of New York, 2800 Victory Boulevard, Staten Island, New York 10314, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, College of Staten Island, The City University of New York, 2800 Victory Boulevard, Staten Island, New York 10314, United States","institution_ids":["https://openalex.org/I142393192","https://openalex.org/I174216632"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5063124884","display_name":"Sharon M. Loverde","orcid":"https://orcid.org/0000-0002-7643-6498"},"institutions":[{"id":"https://openalex.org/I142393192","display_name":"College of Staten Island","ror":"https://ror.org/02p179j44","country_code":"US","type":"education","lineage":["https://openalex.org/I142393192"]},{"id":"https://openalex.org/I174216632","display_name":"City University of New York","ror":"https://ror.org/00453a208","country_code":"US","type":"education","lineage":["https://openalex.org/I174216632"]},{"id":"https://openalex.org/I121847817","display_name":"The Graduate Center, CUNY","ror":"https://ror.org/00awd9g61","country_code":"US","type":"education","lineage":["https://openalex.org/I121847817"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Sharon M. Loverde","raw_affiliation_strings":["Department of Chemistry, College of Staten Island, The City University of New York, 2800 Victory Boulevard, Staten Island, New York 10314, United States","Ph.D. Program in Chemistry, Biochemistry, and Physics, The Graduate Center of the City University of New York, New York, New York 10016, United States"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, College of Staten Island, The City University of New York, 2800 Victory Boulevard, Staten Island, New York 10314, United States","institution_ids":["https://openalex.org/I142393192","https://openalex.org/I174216632"]},{"raw_affiliation_string":"Ph.D. Program in Chemistry, Biochemistry, and Physics, The Graduate Center of the City University of New York, New York, New York 10016, United States","institution_ids":["https://openalex.org/I174216632","https://openalex.org/I121847817"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5063124884"],"corresponding_institution_ids":["https://openalex.org/I121847817","https://openalex.org/I142393192","https://openalex.org/I174216632"],"apc_list":null,"apc_paid":null,"fwci":0.6132,"has_fulltext":false,"cited_by_count":15,"citation_normalized_percentile":{"value":0.63519286,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":100},"biblio":{"volume":"58","issue":"6","first_page":"1164","last_page":"1168"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11419","display_name":"Supramolecular Self-Assembly in Materials","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2502","display_name":"Biomaterials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11419","display_name":"Supramolecular Self-Assembly in Materials","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2502","display_name":"Biomaterials"},"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":0.9944000244140625,"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/T10407","display_name":"Lipid Membrane Structure and Behavior","score":0.9926999807357788,"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/molecular-dynamics","display_name":"Molecular dynamics","score":0.846411943435669},{"id":"https://openalex.org/keywords/camptothecin","display_name":"Camptothecin","score":0.8085768222808838},{"id":"https://openalex.org/keywords/supramolecular-chemistry","display_name":"Supramolecular chemistry","score":0.7739646434783936},{"id":"https://openalex.org/keywords/stacking","display_name":"Stacking","score":0.7228028178215027},{"id":"https://openalex.org/keywords/drug-delivery","display_name":"Drug delivery","score":0.6095965504646301},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.5956069231033325},{"id":"https://openalex.org/keywords/anticancer-drug","display_name":"Anticancer drug","score":0.47896507382392883},{"id":"https://openalex.org/keywords/amphiphile","display_name":"Amphiphile","score":0.4609636962413788},{"id":"https://openalex.org/keywords/materials-science","display_name":"Materials science","score":0.45974618196487427},{"id":"https://openalex.org/keywords/dynamics","display_name":"Dynamics (music)","score":0.4397393763065338},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3300870656967163},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.3238404393196106},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.2317916750907898},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.17484545707702637},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.08439964056015015},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.058409929275512695},{"id":"https://openalex.org/keywords/polymer","display_name":"Polymer","score":0.05646944046020508}],"concepts":[{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.846411943435669},{"id":"https://openalex.org/C2779682216","wikidata":"https://www.wikidata.org/wiki/Q419964","display_name":"Camptothecin","level":2,"score":0.8085768222808838},{"id":"https://openalex.org/C93275456","wikidata":"https://www.wikidata.org/wiki/Q756449","display_name":"Supramolecular chemistry","level":3,"score":0.7739646434783936},{"id":"https://openalex.org/C33347731","wikidata":"https://www.wikidata.org/wiki/Q285210","display_name":"Stacking","level":2,"score":0.7228028178215027},{"id":"https://openalex.org/C2779820397","wikidata":"https://www.wikidata.org/wiki/Q1392806","display_name":"Drug delivery","level":2,"score":0.6095965504646301},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.5956069231033325},{"id":"https://openalex.org/C3018146709","wikidata":"https://www.wikidata.org/wiki/Q974135","display_name":"Anticancer drug","level":3,"score":0.47896507382392883},{"id":"https://openalex.org/C67407626","wikidata":"https://www.wikidata.org/wiki/Q5723218","display_name":"Amphiphile","level":4,"score":0.4609636962413788},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.45974618196487427},{"id":"https://openalex.org/C145912823","wikidata":"https://www.wikidata.org/wiki/Q113558","display_name":"Dynamics (music)","level":2,"score":0.4397393763065338},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3300870656967163},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.3238404393196106},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2317916750907898},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.17484545707702637},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.08439964056015015},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.058409929275512695},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.05646944046020508},{"id":"https://openalex.org/C15920480","wikidata":"https://www.wikidata.org/wiki/Q421281","display_name":"Copolymer","level":3,"score":0.0},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.0},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.0},{"id":"https://openalex.org/C15744967","wikidata":"https://www.wikidata.org/wiki/Q9418","display_name":"Psychology","level":0,"score":0.0},{"id":"https://openalex.org/C118552586","wikidata":"https://www.wikidata.org/wiki/Q7867","display_name":"Psychiatry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000008","qualifier_name":"administration & dosage","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000008","qualifier_name":"administration & dosage","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000008","qualifier_name":"administration & dosage","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002166","descriptor_name":"Camptothecin","qualifier_ui":"Q000008","qualifier_name":"administration & dosage","is_major_topic":false},{"descriptor_ui":"D002166","descriptor_name":"Camptothecin","qualifier_ui":"Q000008","qualifier_name":"administration & dosage","is_major_topic":false},{"descriptor_ui":"D002166","descriptor_name":"Camptothecin","qualifier_ui":"Q000008","qualifier_name":"administration & dosage","is_major_topic":false},{"descriptor_ui":"D002166","descriptor_name":"Camptothecin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002166","descriptor_name":"Camptothecin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002166","descriptor_name":"Camptothecin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004337","descriptor_name":"Drug Carriers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004337","descriptor_name":"Drug Carriers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004337","descriptor_name":"Drug Carriers","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006860","descriptor_name":"Hydrogen Bonding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013501","descriptor_name":"Surface-Active Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013501","descriptor_name":"Surface-Active Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013501","descriptor_name":"Surface-Active Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014867","descriptor_name":"Water","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D043942","descriptor_name":"Nanotubes","qualifier_ui":"Q000648","qualifier_name":"ultrastructure","is_major_topic":false},{"descriptor_ui":"D043942","descriptor_name":"Nanotubes","qualifier_ui":"Q000648","qualifier_name":"ultrastructure","is_major_topic":false},{"descriptor_ui":"D043942","descriptor_name":"Nanotubes","qualifier_ui":"Q000648","qualifier_name":"ultrastructure","is_major_topic":false},{"descriptor_ui":"D043942","descriptor_name":"Nanotubes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D043942","descriptor_name":"Nanotubes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D043942","descriptor_name":"Nanotubes","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057927","descriptor_name":"Hydrophobic and Hydrophilic Interactions","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1021/acs.jcim.8b00193","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.8b00193","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:29856610","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/29856610","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:europepmc.org:5240628","is_oa":false,"landing_page_url":"http://europepmc.org/pmc/articles/PMC6261261","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,"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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Text"},{"id":"pmh:oai:pubmedcentral.nih.gov:6261261","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/6261261","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"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:6261261","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/6261261","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"},"sustainable_development_goals":[{"display_name":"Clean water and sanitation","id":"https://metadata.un.org/sdg/6","score":0.7799999713897705}],"awards":[{"id":"https://openalex.org/G1257541284","display_name":null,"funder_award_id":"R15EB020343-01A1","funder_id":"https://openalex.org/F4320337363","funder_display_name":"National Institute of Biomedical Imaging and Bioengineering"}],"funders":[{"id":"https://openalex.org/F4320309102","display_name":"City University of New York","ror":"https://ror.org/00453a208"},{"id":"https://openalex.org/F4320337363","display_name":"National Institute of Biomedical Imaging and Bioengineering","ror":"https://ror.org/00372qc85"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":33,"referenced_works":["https://openalex.org/W1964694986","https://openalex.org/W1976499671","https://openalex.org/W1976805645","https://openalex.org/W1982067617","https://openalex.org/W1989993656","https://openalex.org/W1992094448","https://openalex.org/W1993190737","https://openalex.org/W1994486848","https://openalex.org/W2004709308","https://openalex.org/W2006532602","https://openalex.org/W2019926289","https://openalex.org/W2034365540","https://openalex.org/W2042398225","https://openalex.org/W2043110985","https://openalex.org/W2048221161","https://openalex.org/W2057834062","https://openalex.org/W2085806783","https://openalex.org/W2089455498","https://openalex.org/W2096503214","https://openalex.org/W2113422074","https://openalex.org/W2141320224","https://openalex.org/W2147993766","https://openalex.org/W2150981663","https://openalex.org/W2162785195","https://openalex.org/W2255780632","https://openalex.org/W2270714927","https://openalex.org/W2321070114","https://openalex.org/W2663629670","https://openalex.org/W2748361684","https://openalex.org/W2748417965","https://openalex.org/W2751146038","https://openalex.org/W3098325766","https://openalex.org/W4210961063"],"related_works":["https://openalex.org/W2016514111","https://openalex.org/W4212845703","https://openalex.org/W4212882327","https://openalex.org/W2883010492","https://openalex.org/W2057404591","https://openalex.org/W2321084793","https://openalex.org/W2947667176","https://openalex.org/W2102043082","https://openalex.org/W4280618078","https://openalex.org/W2552240442"],"abstract_inverted_index":{"We":[0,39],"report":[1],"here":[2],"on":[3],"long-time":[4],"all-atomistic":[5],"molecular":[6,49],"dynamics":[7,50,66],"simulations":[8],"of":[9,17,33,61,87],"functional":[10],"supramolecular":[11],"nanotubes":[12,70],"composed":[13],"by":[14],"the":[15,34,41,57,75,84],"self-assembly":[16,42],"peptide-drug":[18,69],"amphiphiles":[19],"(DAs).":[20],"These":[21],"DAs":[22],"have":[23],"been":[24],"shown":[25],"to":[26],"possess":[27],"an":[28],"inherently":[29],"high":[30],"drug":[31,37,91],"loading":[32],"hydrophobic":[35],"anticancer":[36,90],"camptothecin.":[38],"probe":[40],"mechanism":[43],"from":[44],"random":[45],"with":[46,71,74],"\u223c0.4":[47],"\u03bcs":[48],"simulations.":[51],"Furthermore,":[52],"we":[53],"also":[54],"computationally":[55],"characterize":[56],"interfacial":[58],"structure,":[59],"directionality":[60],"\u03c0-\u03c0":[62],"stacking,":[63],"and":[64],"water":[65],"within":[67],"several":[68],"diameters":[72],"consistent":[73],"reported":[76],"experimental":[77],"nanotube":[78],"diameter.":[79],"Insight":[80],"gained":[81],"should":[82],"inform":[83],"future":[85],"design":[86],"these":[88],"novel":[89],"delivery":[92],"systems.":[93]},"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":4}],"updated_date":"2026-03-12T08:34:05.389933","created_date":"2025-10-10T00:00:00"}