{"id":"https://openalex.org/W2057883075","doi":"https://doi.org/10.1021/acs.jcim.5b00025","title":"Transport Behavior of a Single Ca<sup>2+</sup>, K<sup>+</sup>, and Na<sup>+</sup> in a Water-Filled Transmembrane Cyclic Peptide Nanotube","display_name":"Transport Behavior of a Single Ca<sup>2+</sup>, K<sup>+</sup>, and Na<sup>+</sup> in a Water-Filled Transmembrane Cyclic Peptide Nanotube","publication_year":2015,"publication_date":"2015-04-20","ids":{"openalex":"https://openalex.org/W2057883075","doi":"https://doi.org/10.1021/acs.jcim.5b00025","mag":"2057883075","pmid":"https://pubmed.ncbi.nlm.nih.gov/25894098"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5b00025","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00025","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5088119150","display_name":"Xiliang Yan","orcid":"https://orcid.org/0000-0003-4173-6228"},"institutions":[{"id":"https://openalex.org/I3923682","display_name":"Soochow University","ror":"https://ror.org/05t8y2r12","country_code":"CN","type":"education","lineage":["https://openalex.org/I3923682"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiliang Yan","raw_affiliation_strings":["College of Chemistry, Chemical\rEngineering and Materials Science, Soochow University, Suzhou 215123, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry, Chemical\rEngineering and Materials Science, Soochow University, Suzhou 215123, People\u2019s Republic of China","institution_ids":["https://openalex.org/I3923682"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102844463","display_name":"Jianfen Fan","orcid":"https://orcid.org/0000-0003-4974-4978"},"institutions":[{"id":"https://openalex.org/I3923682","display_name":"Soochow University","ror":"https://ror.org/05t8y2r12","country_code":"CN","type":"education","lineage":["https://openalex.org/I3923682"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jianfen Fan","raw_affiliation_strings":["College of Chemistry, Chemical\rEngineering and Materials Science, Soochow University, Suzhou 215123, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry, Chemical\rEngineering and Materials Science, Soochow University, Suzhou 215123, People\u2019s Republic of China","institution_ids":["https://openalex.org/I3923682"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108762092","display_name":"Yi Yu","orcid":null},"institutions":[{"id":"https://openalex.org/I3923682","display_name":"Soochow University","ror":"https://ror.org/05t8y2r12","country_code":"CN","type":"education","lineage":["https://openalex.org/I3923682"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yi Yu","raw_affiliation_strings":["College of Chemistry, Chemical\rEngineering and Materials Science, Soochow University, Suzhou 215123, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry, Chemical\rEngineering and Materials Science, Soochow University, Suzhou 215123, People\u2019s Republic of China","institution_ids":["https://openalex.org/I3923682"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038908547","display_name":"Jian Xu","orcid":"https://orcid.org/0000-0001-5448-3034"},"institutions":[{"id":"https://openalex.org/I3923682","display_name":"Soochow University","ror":"https://ror.org/05t8y2r12","country_code":"CN","type":"education","lineage":["https://openalex.org/I3923682"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jian Xu","raw_affiliation_strings":["College of Chemistry, Chemical\rEngineering and Materials Science, Soochow University, Suzhou 215123, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry, Chemical\rEngineering and Materials Science, Soochow University, Suzhou 215123, People\u2019s Republic of China","institution_ids":["https://openalex.org/I3923682"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100381711","display_name":"Mingming Zhang","orcid":"https://orcid.org/0000-0003-3156-7811"},"institutions":[{"id":"https://openalex.org/I3923682","display_name":"Soochow University","ror":"https://ror.org/05t8y2r12","country_code":"CN","type":"education","lineage":["https://openalex.org/I3923682"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Mingming Zhang","raw_affiliation_strings":["College of Chemistry, Chemical\rEngineering and Materials Science, Soochow University, Suzhou 215123, People\u2019s Republic of China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Chemistry, Chemical\rEngineering and Materials Science, Soochow University, Suzhou 215123, People\u2019s Republic of China","institution_ids":["https://openalex.org/I3923682"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5102844463"],"corresponding_institution_ids":["https://openalex.org/I3923682"],"apc_list":null,"apc_paid":null,"fwci":2.1545,"has_fulltext":false,"cited_by_count":29,"citation_normalized_percentile":{"value":0.85474402,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"55","issue":"5","first_page":"998","last_page":"1011"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11419","display_name":"Supramolecular Self-Assembly in Materials","score":0.9998999834060669,"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":0.9998999834060669,"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/T10407","display_name":"Lipid Membrane Structure and Behavior","score":0.9976000189781189,"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/T10207","display_name":"Advanced biosensing and bioanalysis techniques","score":0.9959999918937683,"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/solvation","display_name":"Solvation","score":0.7087136507034302},{"id":"https://openalex.org/keywords/solvation-shell","display_name":"Solvation shell","score":0.6274898648262024},{"id":"https://openalex.org/keywords/radius","display_name":"RADIUS","score":0.5933416485786438},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.575427234172821},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.5529223680496216},{"id":"https://openalex.org/keywords/ionic-radius","display_name":"Ionic radius","score":0.5299233794212341},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.514647364616394},{"id":"https://openalex.org/keywords/diffusion","display_name":"Diffusion","score":0.5029494166374207},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.4553114175796509},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.4252229332923889},{"id":"https://openalex.org/keywords/ion","display_name":"Ion","score":0.39255762100219727},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.21373999118804932},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.19857951998710632},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.13708508014678955}],"concepts":[{"id":"https://openalex.org/C148093993","wikidata":"https://www.wikidata.org/wiki/Q739398","display_name":"Solvation","level":3,"score":0.7087136507034302},{"id":"https://openalex.org/C149823470","wikidata":"https://www.wikidata.org/wiki/Q1088326","display_name":"Solvation shell","level":4,"score":0.6274898648262024},{"id":"https://openalex.org/C178635117","wikidata":"https://www.wikidata.org/wiki/Q747499","display_name":"RADIUS","level":2,"score":0.5933416485786438},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.575427234172821},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5529223680496216},{"id":"https://openalex.org/C54998646","wikidata":"https://www.wikidata.org/wiki/Q908801","display_name":"Ionic radius","level":3,"score":0.5299233794212341},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.514647364616394},{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.5029494166374207},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.4553114175796509},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.4252229332923889},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.39255762100219727},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.21373999118804932},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.19857951998710632},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.13708508014678955},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.0},{"id":"https://openalex.org/C38652104","wikidata":"https://www.wikidata.org/wiki/Q3510521","display_name":"Computer security","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D002118","descriptor_name":"Calcium","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002118","descriptor_name":"Calcium","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002118","descriptor_name":"Calcium","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D002118","descriptor_name":"Calcium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002118","descriptor_name":"Calcium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002118","descriptor_name":"Calcium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004058","descriptor_name":"Diffusion","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004058","descriptor_name":"Diffusion","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004058","descriptor_name":"Diffusion","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008567","descriptor_name":"Membranes, Artificial","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008567","descriptor_name":"Membranes, Artificial","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008567","descriptor_name":"Membranes, Artificial","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008670","descriptor_name":"Metals","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008670","descriptor_name":"Metals","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008670","descriptor_name":"Metals","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D008670","descriptor_name":"Metals","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008670","descriptor_name":"Metals","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008670","descriptor_name":"Metals","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011188","descriptor_name":"Potassium","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011188","descriptor_name":"Potassium","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011188","descriptor_name":"Potassium","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D011188","descriptor_name":"Potassium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011188","descriptor_name":"Potassium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D011188","descriptor_name":"Potassium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012964","descriptor_name":"Sodium","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012964","descriptor_name":"Sodium","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012964","descriptor_name":"Sodium","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012964","descriptor_name":"Sodium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012964","descriptor_name":"Sodium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012964","descriptor_name":"Sodium","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D012997","descriptor_name":"Solvents","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":"D017136","descriptor_name":"Ion Transport","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017136","descriptor_name":"Ion Transport","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017136","descriptor_name":"Ion Transport","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D045333","descriptor_name":"Nanotubes, Peptide","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D045333","descriptor_name":"Nanotubes, Peptide","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D045333","descriptor_name":"Nanotubes, Peptide","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055672","descriptor_name":"Static Electricity","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}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.5b00025","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00025","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:25894098","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/25894098","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.550000011920929,"display_name":"Clean water and sanitation","id":"https://metadata.un.org/sdg/6"}],"awards":[{"id":"https://openalex.org/G6734758106","display_name":null,"funder_award_id":"2012CBB25803","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"},{"id":"https://openalex.org/G7213111335","display_name":"\u8de8\u819c\u73af\u80bd\u7eb3\u7c73\u7ba1\u6a21\u62df\u751f\u7269\u6c34\u901a\u9053\u7684\u5206\u5b50\u52a8\u529b\u5b66\u7814\u7a76","funder_award_id":"21173154","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321540","display_name":"Ministry of Science and Technology of the People's Republic of China","ror":"https://ror.org/027s68j25"},{"id":"https://openalex.org/F4320327518","display_name":"Priority Academic Program Development of Jiangsu Higher Education Institutions","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":50,"referenced_works":["https://openalex.org/W1963673259","https://openalex.org/W1968302011","https://openalex.org/W1972758026","https://openalex.org/W1973589290","https://openalex.org/W1975866642","https://openalex.org/W1976499671","https://openalex.org/W1983948180","https://openalex.org/W1985777237","https://openalex.org/W1991230688","https://openalex.org/W1993190737","https://openalex.org/W1995124618","https://openalex.org/W2003349938","https://openalex.org/W2012766545","https://openalex.org/W2013579398","https://openalex.org/W2014574246","https://openalex.org/W2024904943","https://openalex.org/W2027590084","https://openalex.org/W2028366248","https://openalex.org/W2029667189","https://openalex.org/W2032900604","https://openalex.org/W2033879426","https://openalex.org/W2036025711","https://openalex.org/W2042821667","https://openalex.org/W2046738915","https://openalex.org/W2049975788","https://openalex.org/W2054495665","https://openalex.org/W2057220321","https://openalex.org/W2058064833","https://openalex.org/W2058803865","https://openalex.org/W2059652843","https://openalex.org/W2059906178","https://openalex.org/W2060270263","https://openalex.org/W2063550922","https://openalex.org/W2065733314","https://openalex.org/W2067174909","https://openalex.org/W2075629744","https://openalex.org/W2078541742","https://openalex.org/W2079902238","https://openalex.org/W2084675840","https://openalex.org/W2086251676","https://openalex.org/W2106140689","https://openalex.org/W2110085665","https://openalex.org/W2113285000","https://openalex.org/W2115634568","https://openalex.org/W2150981663","https://openalex.org/W2159664691","https://openalex.org/W2162166182","https://openalex.org/W2279765626","https://openalex.org/W2322368868","https://openalex.org/W2330369375"],"related_works":["https://openalex.org/W2070679687","https://openalex.org/W2040663074","https://openalex.org/W2055804837","https://openalex.org/W2042366629","https://openalex.org/W2018648187","https://openalex.org/W4242247773","https://openalex.org/W3175840220","https://openalex.org/W2009325851","https://openalex.org/W4231356318","https://openalex.org/W2375620005"],"abstract_inverted_index":{"Molecular":[0],"dynamics":[1],"simulations":[2],"have":[3],"been":[4],"performed":[5],"to":[6,39,82],"investigate":[7],"the":[8,41,48,59,90,95,103,115,120,123,129,137,157,176,183,191,201,207,215,223,226,231],"transport":[9,45],"properties":[10,46],"of":[11,43,58,75,86,106,122,165,178,188,198,219],"a":[12,19,76,83,148,220],"single":[13],"Ca(2+),":[14],"K(+),":[15],"and":[16,63,92,97,100,119,125,154,167,222],"Na(+)":[17,62,168],"in":[18,68,94,136,147,172,182,190,200,225],"water-filled":[20],"transmembrane":[21,27],"cyclic":[22],"peptide":[23],"nanotube":[24],"(CPNT).":[25],"Two":[26],"CPNTs,":[28,174],"i.e.,":[29],"8\u00d7(WL)n=4,5/POPE":[30],"(with":[31],"uniform":[32],"lengths":[33],"but":[34],"various":[35],"radii),":[36],"were":[37,111],"applied":[38],"clarify":[40],"dependence":[42],"ionic":[44],"on":[47],"channel":[49,87,107,208],"radius.":[50],"A":[51,139],"huge":[52],"energy":[53],"barrier":[54],"keeps":[55],"Ca(2+)":[56,118,166,189],"out":[57],"octa-CPNT,":[60,124],"while":[61,175,196],"K(+)":[64,135,150,179,199,232],"can":[65,155],"be":[66],"trapped":[67],"two":[69,173],"CPNTs.":[70],"The":[71,161,185],"dominant":[72],"electrostatic":[73],"interaction":[74],"cation":[77,91,140,221],"with":[78,128],"water":[79,88,217],"molecules":[80,218],"leads":[81],"high":[84],"distribution":[85],"around":[89],"D-defects":[93],"first":[96,162],"last":[98],"gaps,":[99],"significantly":[101],"reduces":[102],"axial":[104],"diffusion":[105],"water.":[108],"Water-bridged":[109],"interactions":[110],"mostly":[112,132],"found":[113],"between":[114,214],"artificially":[116],"introduced":[117],"framework":[121],"direct":[126],"coordinations":[127],"tube":[130],"wall":[131],"occur":[133],"for":[134,230],"octa-CPNT.":[138,184],"may":[141],"drift":[142],"rapidly":[143],"or":[144],"behave":[145],"lazily":[146],"CPNT.":[149],"behaves":[151],"most":[152,194,204],"actively":[153],"visit":[156],"whole":[158],"deca-CPNT":[159,202],"quickly.":[160],"solvation":[163,186],"shells":[164],"are":[169],"basically":[170],"saturated":[171],"hydration":[177],"is":[180,193,203],"incomplete":[181],"structure":[187],"octa-CPNT":[192],"stable,":[195],"that":[197],"labile.":[205],"Increasing":[206],"radius":[209],"induces":[210],"numerous":[211],"interchange":[212],"attempts":[213],"first-shell":[216],"ones":[224],"outer":[227],"region,":[228],"especially":[229],"system.":[233]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":3},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":6}],"updated_date":"2026-06-15T08:34:33.830935","created_date":"2016-06-24T00:00:00"}