{"created":"2023-07-27T06:56:17.808630+00:00","id":53100,"links":{},"metadata":{"_buckets":{"deposit":"7dfb73cf-d559-42e6-969b-8cd61aa79bbd"},"_deposit":{"created_by":18,"id":"53100","owners":[18],"pid":{"revision_id":0,"type":"depid","value":"53100"},"status":"published"},"_oai":{"id":"oai:kanazawa-u.repo.nii.ac.jp:00053100","sets":["2812:2813:2820"]},"author_link":["2601"],"item_9_biblio_info_8":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2014-05-26","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"6p.","bibliographicVolumeNumber":"2011 – 2013","bibliographic_titles":[{"bibliographic_title":"平成25(2013)年度 科学研究費補助金 若手研究(B) 研究成果報告書"},{"bibliographic_title":"2013 Fiscal Year Final Research Report","bibliographic_titleLang":"en"}]}]},"item_9_creator_33":{"attribute_name":"著者別表示","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"Oda, Akifumi"}],"nameIdentifiers":[{"nameIdentifier":"2601","nameIdentifierScheme":"WEKO"},{"nameIdentifier":"50433511","nameIdentifierScheme":"e-Rad","nameIdentifierURI":"https://kaken.nii.ac.jp/ja/search/?qm=50433511"}]}]},"item_9_description_21":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"本研究ではタンパク質－リガンドドッキングにおいて多目的最適化の概念を導入し、複数のスコア関数を使用してドッキングポーズを選別するための技術を開発した。またドッキングの際に生じる偽陽性を取り除くために、ドッキング以外の方法を組み合わせて選別を行う対話型最適化の概念についても導入した。従来のコンセンサススコア技術では使用するスコア関数の選別を注意深く行う必要があるが、多目的最適化は原理上スコア関数を単純に増やすほど正解を見落とすことがなくなるという利点がある。一方で増加することになる偽陽性については対話型最適化によって削減するというドッキング戦略を構築した。","subitem_description_type":"Abstract"},{"subitem_description":"In this study, multi-objective optimization was adopted for protein-ligand docking calculations. Multiple scoring functions were simultaneously used, and the Pareto optima were selected as the solutions of docking trials. In addition, the concept of the interactive optimization was also used, because the reduction of the number of the false positives is one of the most important problems in docking calculations. In interactive optimization, false positives were eliminated by using several criterion, such as experimental data and estimated pharmacophore obtained by ligand-based approach. The combination use of multi-objective optimization and interactive optimization was tested for large test set, and was applied for actual drug design trials.","subitem_description_type":"Abstract"}]},"item_9_description_22":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"研究課題/領域番号:23790137, 研究期間(年度):2011 – 2013","subitem_description_type":"Other"},{"subitem_description":"出典：「多目的最適化と対話型最適化を利用した蛋白質: リガンドドッキングプログラムの開発」研究成果報告書　課題番号23790137\n（KAKEN：科学研究費助成事業データベース（国立情報学研究所））\n（https://kaken.nii.ac.jp/ja/report/KAKENHI-PROJECT-23790137/23790137seika/)を加工して作成","subitem_description_type":"Other"}]},"item_9_description_5":{"attribute_name":"提供者所属","attribute_value_mlt":[{"subitem_description":"金沢大学医薬保健研究域薬学系 / 東北薬科大学","subitem_description_type":"Other"}]},"item_9_identifier_registration":{"attribute_name":"ID登録","attribute_value_mlt":[{"subitem_identifier_reg_text":"10.24517/00059384","subitem_identifier_reg_type":"JaLC"}]},"item_9_relation_28":{"attribute_name":"関連URI","attribute_value_mlt":[{"subitem_relation_name":[{"subitem_relation_name_text":"https://kaken.nii.ac.jp/ja/search/?kw=50433511"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://kaken.nii.ac.jp/ja/search/?kw=50433511","subitem_relation_type_select":"URI"}},{"subitem_relation_name":[{"subitem_relation_name_text":"https://kaken.nii.ac.jp/ja/grant/KAKENHI-PROJECT-23790137/"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://kaken.nii.ac.jp/ja/grant/KAKENHI-PROJECT-23790137/","subitem_relation_type_select":"URI"}},{"subitem_relation_name":[{"subitem_relation_name_text":"https://kaken.nii.ac.jp/ja/report/KAKENHI-PROJECT-23790137/23790137seika/"}],"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://kaken.nii.ac.jp/ja/report/KAKENHI-PROJECT-23790137/23790137seika/","subitem_relation_type_select":"URI"}}]},"item_9_version_type_25":{"attribute_name":"著者版フラグ","attribute_value_mlt":[{"subitem_version_resource":"http://purl.org/coar/version/c_ab4af688f83e57aa","subitem_version_type":"AM"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"小田, 彰史"}],"nameIdentifiers":[{"nameIdentifier":"2601","nameIdentifierScheme":"WEKO"},{"nameIdentifier":"50433511","nameIdentifierScheme":"e-Rad","nameIdentifierURI":"https://kaken.nii.ac.jp/ja/search/?qm=50433511"}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2020-11-02"}],"displaytype":"detail","filename":"PH-PR-ODA-A-kaken 2014-6p.pdf","filesize":[{"value":"280.2 kB"}],"format":"application/pdf","licensetype":"license_11","mimetype":"application/pdf","url":{"label":"PH-PR-ODA-A-kaken 2014-6p.pdf","url":"https://kanazawa-u.repo.nii.ac.jp/record/53100/files/PH-PR-ODA-A-kaken 2014-6p.pdf"},"version_id":"442e513e-9f2e-4d06-b230-c1523ac32348"}]},"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":"research report","resourceuri":"http://purl.org/coar/resource_type/c_18ws"}]},"item_title":"多目的最適化と対話型最適化を利用した蛋白質: リガンドドッキングプログラムの開発","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"多目的最適化と対話型最適化を利用した蛋白質: リガンドドッキングプログラムの開発"},{"subitem_title":"Development of the protein-ligand docking program using multi-objective optimization and interactive optimization","subitem_title_language":"en"}]},"item_type_id":"9","owner":"18","path":["2820"],"pubdate":{"attribute_name":"公開日","attribute_value":"2020-11-02"},"publish_date":"2020-11-02","publish_status":"0","recid":"53100","relation_version_is_last":true,"title":["多目的最適化と対話型最適化を利用した蛋白質: リガンドドッキングプログラムの開発"],"weko_creator_id":"18","weko_shared_id":-1},"updated":"2024-07-01T05:50:10.866609+00:00"}