{"created":"2021-03-01T06:34:52.729565+00:00","id":26917,"links":{},"metadata":{"_buckets":{"deposit":"84ad6f9d-ef64-469c-b27a-b67254f43f36"},"_deposit":{"id":"26917","owners":[],"pid":{"revision_id":0,"type":"depid","value":"26917"},"status":"published"},"_oai":{"id":"oai:nagoya.repo.nii.ac.jp:00026917","sets":["336:695:696"]},"author_link":["88202","88203","88204"],"item_10_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2000-10-15","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"15","bibliographicPageEnd":"6051","bibliographicPageStart":"6042","bibliographicVolumeNumber":"113","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":"We have developed a new simulation algorithm for free-energy calculations. The method is a multidimensional extension of the replica-exchange method. While pairs of replicas with different temperatures are exchanged during the simulation in the original replica-exchange method, pairs of replicas with different temperatures and/or different parameters of the potential energy are exchanged in the new algorithm. This greatly enhances the sampling of the conformational space and allows accurate calculations of free energy in a wide temperature range from a single simulation run, using the weighted histogram analysis method.","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/10.1063/1.1308516","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.113, n.15, 2000, p.6042-6051) and may be found at (http://dx.doi.org/10.1063/1.1308516).","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":"Sugita, Yuji","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"88202","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Kitao, Akio","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"88203","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Okamoto, Yuko","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"88204","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_1308516.pdf","filesize":[{"value":"253.1 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"1_1308516","objectType":"fulltext","url":"https://nagoya.repo.nii.ac.jp/record/26917/files/1_1308516.pdf"},"version_id":"57bbb146-48b6-475d-82a0-0dd1e720e266"}]},"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":"Multidimensional replica-exchange method for free-energy calculations","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Multidimensional replica-exchange method for free-energy calculations","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":"26917","relation_version_is_last":true,"title":["Multidimensional replica-exchange method for free-energy calculations"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-01-16T04:17:34.456485+00:00"}