{"metadata":{"_oai":{"id":"oai:ipsj.ixsq.nii.ac.jp:00230811","sets":["6504:11436:11444"]},"path":["11444"],"owner":"44499","recid":"230811","title":["バーチャルスクリーニングに適したAlphaFoldタンパク質立体構造モデルの選択"],"pubdate":{"attribute_name":"公開日","attribute_value":"2023-02-16"},"_buckets":{"deposit":"7713a5a7-7561-4c0f-bc7e-aa90bba68b62"},"_deposit":{"id":"230811","pid":{"type":"depid","value":"230811","revision_id":0},"owners":[44499],"status":"published","created_by":44499},"item_title":"バーチャルスクリーニングに適したAlphaFoldタンパク質立体構造モデルの選択","author_link":["622396","622397","622395"],"item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"バーチャルスクリーニングに適したAlphaFoldタンパク質立体構造モデルの選択"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"コンピュータと人間社会","subitem_subject_scheme":"Other"}]},"item_type_id":"22","publish_date":"2023-02-16","item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"jpn"}]},"item_22_text_3":{"attribute_name":"著者所属","attribute_value_mlt":[{"subitem_text_value":"東工大"},{"subitem_text_value":"東工大"},{"subitem_text_value":"東工大"}]},"item_publisher":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"情報処理学会","subitem_publisher_language":"ja"}]},"publish_status":"0","weko_shared_id":-1,"item_file_price":{"attribute_name":"Billing file","attribute_type":"file","attribute_value_mlt":[{"url":{"url":"https://ipsj.ixsq.nii.ac.jp/record/230811/files/IPSJ-Z85-7ZG-02.pdf","label":"IPSJ-Z85-7ZG-02.pdf"},"date":[{"dateType":"Available","dateValue":"2023-11-17"}],"format":"application/pdf","filename":"IPSJ-Z85-7ZG-02.pdf","filesize":[{"value":"185.6 kB"}],"mimetype":"application/pdf","accessrole":"open_date","version_id":"67125362-d325-4ef2-9a41-cd903f4dc020","displaytype":"detail","licensetype":"license_note","license_note":"Copyright (c) 2023 by the Information Processing Society of Japan"}]},"item_22_creator_5":{"attribute_name":"著者名","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"内河, 慶輔"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"古井, 海里"}],"nameIdentifiers":[{}]},{"creatorNames":[{"creatorName":"大上, 雅史"}],"nameIdentifiers":[{}]}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourceuri":"http://purl.org/coar/resource_type/c_5794","resourcetype":"conference paper"}]},"item_22_source_id_9":{"attribute_name":"書誌レコードID","attribute_value_mlt":[{"subitem_source_identifier":"AN00349328","subitem_source_identifier_type":"NCID"}]},"item_22_description_7":{"attribute_name":"論文抄録","attribute_value_mlt":[{"subitem_description":"計算機を用いて化合物群から薬剤候補化合物を選抜するバーチャルスクリーニング技術はその有用性から近年注目されている。特に、タンパク質の立体構造情報を用いた構造ベーススクリーニングは標的タンパク質に関する既知の実験情報を用いないことから、新規性の高い薬剤候補化合物を発見しやすいが、標的タンパク質の構造によってスクリーニングの精度が大きく変化するという問題がある。そこで、本研究では、タンパク質の立体構造予測ツールであるAlphaFold2を用いて様々な予測構造を出力し、予測構造の構造ベーススクリーニング精度を検証した。そして、スクリーニングに適した予測構造を出力し選択できる方法について検討と評価を行った。","subitem_description_type":"Other"}]},"item_22_biblio_info_10":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicPageEnd":"550","bibliographic_titles":[{"bibliographic_title":"第85回全国大会講演論文集"}],"bibliographicPageStart":"549","bibliographicIssueDates":{"bibliographicIssueDate":"2023-02-16","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"1","bibliographicVolumeNumber":"2023"}]},"relation_version_is_last":true,"weko_creator_id":"44499"},"id":230811,"updated":"2025-01-19T10:59:32.151138+00:00","links":{},"created":"2025-01-19T01:30:47.904439+00:00"}