{"created":"2021-03-01T06:34:54.504508+00:00","id":26944,"links":{},"metadata":{"_buckets":{"deposit":"b5b8d6db-fd63-4a33-863e-3f50f682eaac"},"_deposit":{"id":"26944","owners":[],"pid":{"revision_id":0,"type":"depid","value":"26944"},"status":"published"},"_oai":{"id":"oai:nagoya.repo.nii.ac.jp:00026944","sets":["336:695:696"]},"author_link":["88286","88287"],"item_10_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2007-08","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"2","bibliographicPageStart":"026705","bibliographicVolumeNumber":"76","bibliographic_titles":[{"bibliographic_title":"Physical Review E","bibliographic_titleLang":"en"}]}]},"item_10_description_4":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"We propose a generalized-ensemble algorithm, which we refer to as the multicanonical-multioverlap algorithm. By utilizing a non-Boltzmann weight factor, this method realizes a random walk in the multidimensional, energy-overlap space and explores widely in the configurational space including specific configurations, where the overlap of a configuration with respect to a reference state is a measure for structural similarity. We apply the multicanonical-multioverlap molecular dynamics method to a penta peptide, Met-enkephalin, in vacuum as a test system. We also apply the multicanonical and multioverlap molecular dynamics methods to this system for the purpose of comparisons. We see that the multicanonical-multioverlap molecular dynamics method realizes effective sampling in the configurational space including specific configurations more than the other two methods. Furthermore, from the results of the multicanonical-multioverlap molecular dynamics simulation, we obtain a local-minimum state of the Met-enkephalin system.","subitem_description_language":"en","subitem_description_type":"Abstract"}]},"item_10_publisher_32":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"American Physical Society","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/10.1103/PhysRevE.76.026705","subitem_relation_type_select":"DOI"}}]},"item_10_rights_12":{"attribute_name":"権利","attribute_value_mlt":[{"subitem_rights":"© 2007 American Physical Society ","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":"2470-0045","subitem_source_identifier_type":"PISSN"}]},"item_10_source_id_62":{"attribute_name":"ISSN（Online）","attribute_value_mlt":[{"subitem_source_identifier":"2470-0053","subitem_source_identifier_type":"EISSN"}]},"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":"Itoh, Satoru G.","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"88286","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Okamoto, Yuko","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"88287","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":"2018-12-25"}],"displaytype":"detail","filename":"PhysRevE_76_026705.pdf","filesize":[{"value":"1.3 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"PhysRevE_76_026705","objectType":"fulltext","url":"https://nagoya.repo.nii.ac.jp/record/26944/files/PhysRevE_76_026705.pdf"},"version_id":"47f547ee-3467-4b91-9c24-ba91bc4b9f6b"}]},"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":"Effective sampling in the configurational space of a small peptide by the multicanonical-multioverlap algorithm","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Effective sampling in the configurational space of a small peptide by the multicanonical-multioverlap algorithm","subitem_title_language":"en"}]},"item_type_id":"10","owner":"1","path":["696"],"pubdate":{"attribute_name":"PubDate","attribute_value":"2018-12-25"},"publish_date":"2018-12-25","publish_status":"0","recid":"26944","relation_version_is_last":true,"title":["Effective sampling in the configurational space of a small peptide by the multicanonical-multioverlap algorithm"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-01-16T04:17:08.942501+00:00"}