{"created":"2023-05-15T14:57:27.018685+00:00","id":77962,"links":{},"metadata":{"_buckets":{"deposit":"c774f618-fd3d-41bf-9a6a-b5c998a26c54"},"_deposit":{"created_by":1,"id":"77962","owners":[1],"pid":{"revision_id":0,"type":"depid","value":"77962"},"status":"published"},"_oai":{"id":"oai:repo.qst.go.jp:00077962","sets":["10:28"]},"author_link":["820824","820823"],"item_10005_date_7":{"attribute_name":"発表年月日","attribute_value_mlt":[{"subitem_date_issued_datetime":"2019-12-10","subitem_date_issued_type":"Issued"}]},"item_10005_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"Free-energy perturbation (FEP)は分子の一部構造を変更した場合の自由エネルギー差を求める事ができる手法であり、サンプリング法であるReplica-exchange with solute tempering(REST)法と組み合わせることで広く水中の分子の構造をサンプルし精度の良い自由エネルギー差を求めることが可能となる。本発表ではFEP/REST法をタンパク質変異体の自由エネルギー計算への応用について述べる。","subitem_description_type":"Abstract"}]},"item_10005_description_6":{"attribute_name":"会議概要（会議名, 開催地, 会期, 主催者等）","attribute_value_mlt":[{"subitem_description":"第33回分子シミュレーション討論会","subitem_description_type":"Other"}]},"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":"櫻庭, 俊"}],"nameIdentifiers":[{"nameIdentifier":"820823","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Sakuraba, Shun","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"820824","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":"conference object","resourceuri":"http://purl.org/coar/resource_type/c_c94f"}]},"item_title":"FEP/REST法によるタンパク質変異体の自由エネルギー計算","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"FEP/REST法によるタンパク質変異体の自由エネルギー計算"}]},"item_type_id":"10005","owner":"1","path":["28"],"pubdate":{"attribute_name":"公開日","attribute_value":"2019-09-27"},"publish_date":"2019-09-27","publish_status":"0","recid":"77962","relation_version_is_last":true,"title":["FEP/REST法によるタンパク質変異体の自由エネルギー計算"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-05-15T23:17:56.144723+00:00"}