{"created":"2023-05-15T15:01:11.006356+00:00","id":83001,"links":{},"metadata":{"_buckets":{"deposit":"da3a7644-6550-4f59-9d85-46cf824d6405"},"_deposit":{"created_by":1,"id":"83001","owners":[1],"pid":{"revision_id":0,"type":"depid","value":"83001"},"status":"published"},"_oai":{"id":"oai:repo.qst.go.jp:00083001","sets":["11"]},"author_link":["997179","997178","997176","997177"],"item_10004_biblio_info_7":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2021-07","bibliographicIssueDateType":"Issued"},"bibliographicIssueNumber":"3","bibliographicPageEnd":"187","bibliographicPageStart":"182","bibliographicVolumeNumber":"23","bibliographic_titles":[{"bibliographic_title":"分子シミュレーション学会 会誌アンサンブル"}]}]},"item_10004_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"蛋白質からリガンドが解離する際，リガンドが結合していた場所は水分子に置き換わる．そのため，リガンド解離において水分子が関係していることは確かである．しかし，リガンド解離の起源について「水のアクセスが蛋白質－リガンド解離を引き起こすのか，それとも，リガンド解離の結果として水がアクセスするのか」といった部分は明確になっていない．本稿では，蛋白質表面を模擬したモデル結合サイトとトリプシン－ベンズアミジンの分子動力学シミュレーションから，水のアクセスとリガンド解離の関係を検証した最近の研究成果について紹介する．水のアクセスs とリガンド解離r の２つを変数とした自由エネルギー地形G(r; s) を解析することで，両者の関係が明らかになってきた．","subitem_description_type":"Abstract"}]},"item_10004_publisher_8":{"attribute_name":"出版者","attribute_value_mlt":[{"subitem_publisher":"分子シミュレーション学会"}]},"item_10004_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"1884-6750","subitem_source_identifier_type":"ISSN"}]},"item_access_right":{"attribute_name":"アクセス権","attribute_value_mlt":[{"subitem_access_right":"metadata only access","subitem_access_right_uri":"http://purl.org/coar/access_right/c_14cb"}]},"item_creator":{"attribute_name":"著者","attribute_type":"creator","attribute_value_mlt":[{"creatorNames":[{"creatorName":"米谷, 佳晃"}],"nameIdentifiers":[{"nameIdentifier":"997176","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"安達, 基泰"}],"nameIdentifiers":[{"nameIdentifier":"997177","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Yoshiteru, Yonetani","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"997178","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Motoyasu, Adachi","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"997179","nameIdentifierScheme":"WEKO"}]}]},"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":"article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"水のアクセスと蛋白質ーリガンド解離の関係について","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"水のアクセスと蛋白質ーリガンド解離の関係について"}]},"item_type_id":"10004","owner":"1","path":["11"],"pubdate":{"attribute_name":"公開日","attribute_value":"2021-06-21"},"publish_date":"2021-06-21","publish_status":"0","recid":"83001","relation_version_is_last":true,"title":["水のアクセスと蛋白質ーリガンド解離の関係について"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-05-15T19:54:18.236130+00:00"}