{"created":"2021-03-01T06:34:53.321544+00:00","id":26926,"links":{},"metadata":{"_buckets":{"deposit":"1612dfdb-2300-4d10-a290-2298789dfc16"},"_deposit":{"id":"26926","owners":[],"pid":{"revision_id":0,"type":"depid","value":"26926"},"status":"published"},"_oai":{"id":"oai:nagoya.repo.nii.ac.jp:00026926","sets":["336:695:696"]},"author_link":["88224","88225","88226"],"item_10_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2013-02-14","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"6","bibliographicPageStart":"061102","bibliographicVolumeNumber":"138","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 propose an efficient method to enhance sampling in computer simulations by combining the simulated tempering algorithm with a fast on-the-fly weight determination scheme. The weights are self-updated via a trapezoid rule during the simulated tempering simulation. With our proposed scheme, simulated tempering requires neither prior trial simulations nor complicated update schemes. The advantage of our method over replica exchange molecular dynamics has been demonstrated with the study of the folding of the 20-residue alanine peptide and the aggregation of a trimer formed by the Alzheimer's peptide fragment Aβ16−22.","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/10.1063/1.4792046","subitem_relation_type_select":"DOI"}}]},"item_10_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"Copyright 2013 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.138, n.6, 2013, p.061102) and may be found at (http://dx.doi.org/10.1063/1.4792046).","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":"Nguyen, Phuong H.","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"88224","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Okamoto, Yuko","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"88225","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Derreumaux, Philippe","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"88226","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":"2018-12-21"}],"displaytype":"detail","filename":"1_4792046.pdf","filesize":[{"value":"1.2 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"1_4792046","objectType":"fulltext","url":"https://nagoya.repo.nii.ac.jp/record/26926/files/1_4792046.pdf"},"version_id":"c89efbb3-1dbf-43a9-8414-2c095939daa0"}]},"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":"Communication: Simulated tempering with fast on-the-fly weight determination","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Communication: Simulated tempering with fast on-the-fly weight determination","subitem_title_language":"en"}]},"item_type_id":"10","owner":"1","path":["696"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2018-12-21"},"publish_date":"2018-12-21","publish_status":"0","recid":"26926","relation_version_is_last":true,"title":["Communication: Simulated tempering with fast on-the-fly weight determination"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-01-16T04:17:35.392305+00:00"}