{"created":"2023-05-15T14:58:54.826333+00:00","id":79925,"links":{},"metadata":{"_buckets":{"deposit":"a7926284-60b0-42df-bd04-216ecd8c290d"},"_deposit":{"created_by":1,"id":"79925","owners":[1],"pid":{"revision_id":0,"type":"depid","value":"79925"},"status":"published"},"_oai":{"id":"oai:repo.qst.go.jp:00079925","sets":["1"]},"author_link":["868200","868202","868201"],"item_8_biblio_info_7":{"attribute_name":"書誌情報","attribute_value_mlt":[{"bibliographicIssueDates":{"bibliographicIssueDate":"2020-06","bibliographicIssueDateType":"Issued"},"bibliographicPageStart":"137441","bibliographicVolumeNumber":"749","bibliographic_titles":[{"bibliographic_title":"Chemical Physics Letters"}]}]},"item_8_description_5":{"attribute_name":"抄録","attribute_value_mlt":[{"subitem_description":"We calculated solvent accessibility of DNA backbone hydrogen sites, H1'-H5' by using molecular dynamics simulation of DNA. The result of accessibility is well correlated with the site-dependent reactivity with OH radicals experimentally reported, indicating that the different DNA-radical reactivity is mainly caused by the difference in the solvent accessibility of each hydrogen site. Compared with the previous calculation with solvent-accessible surface area, the present MD-based counting of molecular access provided a slightly improved result, which suggests importance of more realistic molecular components such as electrostatic interactions and DNA conformational fluctuation.","subitem_description_type":"Abstract"}]},"item_8_relation_14":{"attribute_name":"DOI","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"10.1016/j.cplett.2020.137441","subitem_relation_type_select":"DOI"}}]},"item_8_relation_17":{"attribute_name":"関連サイト","attribute_value_mlt":[{"subitem_relation_type_id":{"subitem_relation_type_id_text":"https://doi.org/10.1016/j.cplett.2020.137441","subitem_relation_type_select":"DOI"}}]},"item_8_source_id_9":{"attribute_name":"ISSN","attribute_value_mlt":[{"subitem_source_identifier":"0009-2614","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":"Yonetani, Yoshiteru"}],"nameIdentifiers":[{"nameIdentifier":"868200","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Nakagawa, Hiroshi"}],"nameIdentifiers":[{"nameIdentifier":"868201","nameIdentifierScheme":"WEKO"}]},{"creatorNames":[{"creatorName":"Yonetani, Yoshiteru","creatorNameLang":"en"}],"nameIdentifiers":[{"nameIdentifier":"868202","nameIdentifierScheme":"WEKO"}]}]},"item_language":{"attribute_name":"言語","attribute_value_mlt":[{"subitem_language":"eng"}]},"item_resource_type":{"attribute_name":"資源タイプ","attribute_value_mlt":[{"resourcetype":"journal article","resourceuri":"http://purl.org/coar/resource_type/c_6501"}]},"item_title":"Understanding water-mediated DNA damage production by molecular dynamics calculation of solvent accessibility","item_titles":{"attribute_name":"タイトル","attribute_value_mlt":[{"subitem_title":"Understanding water-mediated DNA damage production by molecular dynamics calculation of solvent accessibility"}]},"item_type_id":"8","owner":"1","path":["1"],"pubdate":{"attribute_name":"公開日","attribute_value":"2020-04-28"},"publish_date":"2020-04-28","publish_status":"0","recid":"79925","relation_version_is_last":true,"title":["Understanding water-mediated DNA damage production by molecular dynamics calculation of solvent accessibility"],"weko_creator_id":"1","weko_shared_id":-1},"updated":"2023-05-15T21:55:08.215168+00:00"}