{"created":"2021-03-01T06:34:52.664342+00:00","id":26916,"links":{},"metadata":{"_buckets":{"deposit":"65ff0d13-ad68-489f-827b-0de9af29dfcd"},"_deposit":{"id":"26916","owners":[],"pid":{"revision_id":0,"type":"depid","value":"26916"},"status":"published"},"_oai":{"id":"oai:nagoya.repo.nii.ac.jp:00026916","sets":["336:695:696"]},"author_link":["88200","88201"],"item_10_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2000-06-15","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"23","bibliographicPageEnd":"10647","bibliographicPageStart":"10638","bibliographicVolumeNumber":"112","bibliographic_titles":[{"bibliographic_title":"The Journal of Chemical Physics","bibliographic_titleLang":"en"}]}]},"item_10_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Helix-coil transitions of homo-oligomers in aqueous solution are studied by multicanonical Monte Carlo simulations. The solvation effects are represented by the sum of the terms that are proportional to the solvent-accessible surface area of the atomic groups. Homo-oligomers of length 10 are considered for three characteristic amino acids, alanine, valine, and glycine, which are helix former, helix indifferent, and helix breaker, respectively. We calculated as a function of temperature the distributions of the backbone dihedral angles, the average values of total energy, and its component terms of the homo-oligomers. It is shown that for homo-alanine, the helix-coil transition exists and that the transition temperature in water is considerably lower than in gas phase, which implies that the effects of solvation tend to reduce helical content. Moreover, the helix propagation parameter s and nucleation parameter σ of the Zimm-Bragg model were calculated. The s values that were obtained from the simulations in aqueous solution are in remarkable agreement with the experimental results.","subitem_description_language":"en","subitem_description_type":"Abstract"}]},"item_10_publisher_32":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"AIP Publishing","subitem_publisher_language":"en"}]},"item_10_relation_11":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type":"isVersionOf","subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1063/1.481697","subitem_relation_type_select":"DOI"}}]},"item_10_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"Copyright 2000 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing.The following article appeared in (The Journal of Chemical Physics. v.112, n.23, 2000, p.10638-10647) and may be found at (http://dx.doi.org/10.1063/1.481697).","subitem_rights_language":"en"}]},"item_10_select_15":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_select_item":"publisher"}]},"item_10_source_id_61":{"attribute_name":"ISSN（print）","attribute_value_mlt":[{"subitem_source_identifier":"0021-9606","subitem_source_identifier_type":"PISSN"}]},"item_1615787544753":{"attribute_name":"出版タイプ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"open access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_abf2"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Mitsutake, Ayori","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"88200","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Okamoto, Yuko","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"88201","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2018-12-17"}],"displaytype":"detail","filename":"1_481697.pdf","filesize":[{"value":"408.8 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"1_481697","objectType":"fulltext","url":"https://nagoya.repo.nii.ac.jp/record/26916/files/1_481697.pdf"},"version_id":"ac017d25-6691-475c-ad7a-f944c40dcc51"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Helix-coil transitions of amino-acid homo-oligomers in aqueous solution studied by multicanonical simulations","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Helix-coil transitions of amino-acid homo-oligomers in aqueous solution studied by multicanonical simulations","subitem_title_language":"en"}]},"item_type_id":"10","owner":"1","path":["696"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2018-12-17"},"publish_date":"2018-12-17","publish_status":"0","recid":"26916","relation_version_is_last":true,"title":["Helix-coil transitions of amino-acid homo-oligomers in aqueous solution studied by multicanonical simulations"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-01-16T04:17:34.284179+00:00"}