{"created":"2023-06-20T16:39:58.823363+00:00","id":10131,"links":{},"metadata":{"_buckets":{"deposit":"980bd857-e468-455f-8893-719d57c1fe66"},"_deposit":{"created_by":3,"id":"10131","owners":[3],"pid":{"revision_id":0,"type":"depid","value":"10131"},"status":"published"},"_oai":{"id":"oai:kindai.repo.nii.ac.jp:00010131","sets":["14:923:2219:2223","21:3039:3435:3454"]},"author_link":["18942"],"item_2_alternative_title_3":{"attribute_name":"その他（別言語等）のタイトル","attribute_value_mlt":[{"subitem_alternative_title":"Computational Simulation Study on Proteins Under High Pressure Condition ; A Molecular Dynamics Study on DHFR enzyme"}]},"item_2_biblio_info_21":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2014-03-01","bibliographicIssueDateType":"Issued"},"bibliographicPageEnd":"33","bibliographicPageStart":"25","bibliographicVolumeNumber":"19","bibliographic_titles":[{"bibliographic_title":"近畿大学先端技術総合研究所紀要"},{"bibliographic_title":"Memoirs of Institute of Advanced Technology, Kinki University","bibliographic_titleLang":"en"}]}]},"item_2_description_33":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"[要旨]これまで、熱力学的側面から蛋白質の構造および機能を解析する手段として蛋白質物性の温度特性を研究する熱測定実験が重要な役割を果たしてきた。これに加えて最近、圧力を新たなパラメーターとする熱力学的研究が注目されている。圧力は温度と並び熱力学において重要な軸であり、蛋白質機能構造の圧力依存性を知ることで新たな知見が見出されることが大いに期待されている。一方で、熱測定と同様に蛋白質の圧力に関する実験的研究からは蛋白質の原子レベルでの詳細な情報が得にくい問題がある。計算科学シミュレーションは様々な熱力学的環境を精密に再現して原子レベルの情報を抽出できる特徴があるので、実験に対応する高圧力条件を再現して原子レベルでの詳細な情報を得ることでこの問題を克服することができる。本報告では現在までの蛋白質の機能構造に関する高圧力計算科学シミュレーションを簡単に紹介する。またジヒドロ葉酸還元酵素に対する高圧力計算科学分子シミュレーションを実施した結果について報告する。               [Abstract] Thermal measurements and experiments have been provided significant insight into the structuralcharacteristics and thermodynamical properties of proteins. Recently, in addition to the thermal measurements, studies on proteins under very high pressure conditions are attract much attention to extract the novel thermodynamic properties. Pressure is a substantial axis of thermodynamicalparameters and should play a significant role in mechanism and structural properties of proteins. In this report, we have conducted molecular dynamics simulations in terms of DHFR, in a variety of pressure ranges at 1 bar, 1000 bar, and 2000 bar and analyzed the data from the simulations. The resultsincluding RMSD, Radius of Gyration, Distance map, clearly show that pressure does not much impact on the global averaged static properties of DHFR. However RMSF and Cross Correlation analysis in terms of the amino-acid residues provides significant impact on thermodynamically important fluctuation properties for the amino-acid residues, indicating molecular dynamics simulations using high pressure are useful in thermodynamic studies on proteins.","subitem_description_type":"Abstract"}]},"item_2_description_36":{"attribute_name":"内容記述","attribute_value_mlt":[{"subitem_description":"近畿大学先端技術総合研究所紀要編集委員会","subitem_description_type":"Other"}]},"item_2_description_41":{"attribute_name":"フォーマット","attribute_value_mlt":[{"subitem_description":"application/pdf","subitem_description_type":"Other"}]},"item_2_publisher_14":{"attribute_name":"出版者 名前","attribute_value_mlt":[{"subitem_publisher":"近畿大学先端技術総合研究所"}]},"item_2_source_id_22":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"13468693","subitem_source_identifier_type":"ISSN"}]},"item_2_text_7":{"attribute_name":"著者(英)","attribute_value_mlt":[{"subitem_text_language":"en","subitem_text_value":"Yonezawa, Yasushige"}]},"item_2_text_8":{"attribute_name":"著者 所属","attribute_value_mlt":[{"subitem_text_value":"近畿大学先端技術総合研究所高圧力蛋白質研究センター"}]},"item_2_text_9":{"attribute_name":"著者所属(翻訳)","attribute_value_mlt":[{"subitem_text_value":"Kinki University"}]},"item_2_version_type_12":{"attribute_name":"版","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":"米澤,  康滋"}],"nameIdentifiers":[{}]}]},"item_files":{"attribute_name":"ファイル情報","attribute_type":"file","attribute_value_mlt":[{"accessrole":"open_date","date":[{"dateType":"Available","dateValue":"2016-02-18"}],"displaytype":"detail","filename":"AA11574630-20140331-0025.pdf","filesize":[{"value":"1.2 MB"}],"format":"application/pdf","licensetype":"license_note","mimetype":"application/pdf","url":{"label":"AA11574630-20140331-0025.pdf","url":"https://kindai.repo.nii.ac.jp/record/10131/files/AA11574630-20140331-0025.pdf"},"version_id":"1b216d05-97fe-4f62-bd3b-cdc0153cb8ed"}]},"item_keyword":{"attribute_name":"キーワード","attribute_value_mlt":[{"subitem_subject":"蛋白質","subitem_subject_scheme":"Other"},{"subitem_subject":"分子動力学シュミレーション","subitem_subject_scheme":"Other"},{"subitem_subject":"圧力","subitem_subject_scheme":"Other"},{"subitem_subject":"protein","subitem_subject_scheme":"Other"},{"subitem_subject":"molecular dynamics simulation","subitem_subject_scheme":"Other"},{"subitem_subject":"high pressure","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":"(Original Papers) 蛋白質の高圧力計算シュミレーション研究ジヒドロ葉酸還元酵素DHFR構造動態の解析","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"(Original Papers) 蛋白質の高圧力計算シュミレーション研究ジヒドロ葉酸還元酵素DHFR構造動態の解析"}]},"item_type_id":"2","owner":"3","path":["2223","3454"],"pubdate":{"attribute_name":"公開日","attribute_value":"2014-04-22"},"publish_date":"2014-04-22","publish_status":"0","recid":"10131","relation_version_is_last":true,"title":["(Original Papers) 蛋白質の高圧力計算シュミレーション研究ジヒドロ葉酸還元酵素DHFR構造動態の解析"],"weko_creator_id":"3","weko_shared_id":-1},"updated":"2023-06-20T23:46:27.129753+00:00"}