{"created":"2023-05-15T12:31:05.199861+00:00","id":651,"links":{},"metadata":{"_buckets":{"deposit":"4473da42-a922-47b4-9308-a03ee5afafe3"},"_deposit":{"created_by":6,"id":"651","owners":[6],"pid":{"revision_id":0,"type":"depid","value":"651"},"status":"published"},"_oai":{"id":"oai:fit.repo.nii.ac.jp:00000651","sets":["256:257:360"]},"author_link":["3072","3132","3071"],"item_3_alternative_title_23":{"attribute_name":"タイトル（ヨミ）","attribute_value_mlt":[{"subitem_alternative_title":"スケール ヘンカン シタ エントロピーサンプリング ホウ ニヨル ペプチド ブンシ ノ コウゾウ ヨソク"}]},"item_3_biblio_info_6":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2002-03-15","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"2","bibliographicPageEnd":"194","bibliographicPageStart":"189","bibliographicVolumeNumber":"34","bibliographic_titles":[{"bibliographic_title":"福岡工業大学研究論集"},{"bibliographic_title":"RESEARCH BULLETIN OF FUKUOKA INSTITUTE OF TECHNOLOGY","bibliographic_titleLang":"en"}]}]},"item_3_description_17":{"attribute_name":"フォーマット","attribute_value_mlt":[{"subitem_description":"application/pdf","subitem_description_type":"Other"}]},"item_3_description_47":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"subitem_description":"論文(Article)","subitem_description_type":"Other"}]},"item_3_description_5":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"A scale-transformed entropy sampling algorithm for searching a conformational energy space of polypeptides is presented. This algorithm is based on the assumption that high energy barriers can be overcome by a uniform sampling of the logarithmically transformed energy space. This algorithm is tested with Met-enkephalin, a peptide with a known global minimum structure. Using a new Monte Carlo sampling method, energy barriers of 3000 kcal/mol are frequently overcome and, therefore, many minima are searched more efficiently than with the usual entropy sampling simulations. This method can be utilized as the optimization algorithm. The global minimum conformations obtained in optimizations agree well with those obtained by the simulated annealing (SA) method and by the sys­tematic stepsize variation (SSV) method. The entropy, the average energy and the specific heat are es­timated with one Monte Carlo run. ","subitem_description_type":"Other"}]},"item_3_full_name_2":{"attribute_name":"著者(ヨミ)","attribute_value_mlt":[{"nameIdentifiers":[{"nameIdentifier":"3072","nameIdentifierScheme":"WEKO"}],"names":[{"name":"ナカムラ, ヒデアキ"}]}]},"item_3_full_name_3":{"attribute_name":"別言語の著者","attribute_value_mlt":[{"nameIdentifiers":[{"nameIdentifier":"3132","nameIdentifierScheme":"WEKO"}],"names":[{"name":"NAKAMURA, Hideaki"}]}]},"item_3_publisher_37":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"福岡工業大学"}]},"item_3_source_id_7":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"02876620","subitem_source_identifier_type":"ISSN"}]},"item_3_text_38":{"attribute_name":"出版者（ヨミ）","attribute_value_mlt":[{"subitem_text_value":"フクオカ コウギョウ ダイガク"}]},"item_3_text_39":{"attribute_name":"別言語の出版者","attribute_value_mlt":[{"subitem_text_value":"Fukuoka Institute of Technology"}]},"item_3_text_48":{"attribute_name":"資源タイプ・ローカル","attribute_value_mlt":[{"subitem_text_value":"紀要論文"}]},"item_3_text_49":{"attribute_name":"資源タイプ・NII","attribute_value_mlt":[{"subitem_text_value":"Departmental Bulletin Paper"}]},"item_3_text_50":{"attribute_name":"資源タイプ・DCMI","attribute_value_mlt":[{"subitem_text_value":"text"}]},"item_3_text_51":{"attribute_name":"資源タイプ・ローカル表示コード","attribute_value_mlt":[{"subitem_text_value":"02"}]},"item_3_version_type_19":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_970fb48d4fbd8a85","subitem_version_type":"VoR"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"中村, 秀昭"}],"nameIdentifiers":[{"nameIdentifier":"3071","nameIdentifierScheme":"WEKO"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_access","displaytype":"detail","filename":"34(2)-189.pdf","filesize":[{"value":"368.8 kB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"url":"https://fit.repo.nii.ac.jp/record/651/files/34(2)-189.pdf"},"version_id":"a2437025-ef87-4758-9a01-b9edc6000838"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"Scale Transformation","subitem_subject_scheme":"Other"},{"subitem_subject":"Entropic Sampling","subitem_subject_scheme":"Other"},{"subitem_subject":"Global Optimization","subitem_subject_scheme":"Other"},{"subitem_subject":"Met-enkephalin","subitem_subject_scheme":"Other"},{"subitem_subject":"Scale Transformation","subitem_subject_language":"en","subitem_subject_scheme":"Other"},{"subitem_subject":"Entropic Sampling","subitem_subject_language":"en","subitem_subject_scheme":"Other"},{"subitem_subject":"Global Optimization","subitem_subject_language":"en","subitem_subject_scheme":"Other"},{"subitem_subject":"Met-enkephalin","subitem_subject_language":"en","subitem_subject_scheme":"Other"}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"departmental bulletin paper","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"スケール変換したエントロピーサンプリング法によるペプチド分子の構造予測","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"スケール変換したエントロピーサンプリング法によるペプチド分子の構造予測"},{"subitem_title":"Prediction of peptide conformation using a scale-transformed  entropic sampling algorithm","subitem_title_language":"en"}]},"item_type_id":"3","owner":"6","path":["360"],"pubdate":{"attribute_name":"公開日","attribute_value":"2021-02-08"},"publish_date":"2021-02-08","publish_status":"0","recid":"651","relation_version_is_last":true,"title":["スケール変換したエントロピーサンプリング法によるペプチド分子の構造予測"],"weko_creator_id":"6","weko_shared_id":-1},"updated":"2023-05-15T13:15:06.630621+00:00"}