{"_buckets": {"deposit": "b171bbb8-3aab-4234-83cc-0dfb15fe9144"}, "_deposit": {"created_by": 15, "id": "77", "owners": [15], "pid": {"revision_id": 0, "type": "depid", "value": "77"}, "status": "published"}, "_oai": {"id": "oai:tohoku-mpu.repo.nii.ac.jp:00000077", "sets": ["14"]}, "author_link": [], "control_number": "77", "item_1_biblio_info_14": {"attribute_name": "書誌情報", "attribute_value_mlt": [{"bibliographicIssueDates": {"bibliographicIssueDate": "2010-12", "bibliographicIssueDateType": "Issued"}, "bibliographicIssueNumber": "57", "bibliographicPageEnd": "72", "bibliographicPageStart": "67", "bibliographic_titles": [{"bibliographic_title": "東北薬科大学研究誌", "bibliographic_titleLang": "ja"}, {"bibliographic_title": "Journal of Tohoku Pharmaceutical University", "bibliographic_titleLang": "en"}]}]}, "item_1_creator_6": {"attribute_name": "著者名(日)", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": "小林, 佳奈", "creatorNameLang": "ja"}, {"creatorName": "コバヤシ, カナ", "creatorNameLang": "ja-Kana"}, {"creatorName": "KOBAYASHI, KANA", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "小田, 彰史", "creatorNameLang": "ja"}, {"creatorName": "オダ, アキフミ", "creatorNameLang": "ja-Kana"}, {"creatorName": "ODA, AKIFUMI", "creatorNameLang": "en"}]}, {"creatorNames": [{"creatorName": "高橋, 央宜", "creatorNameLang": "ja"}, {"creatorName": "タカハシ, オウギ", "creatorNameLang": "ja-Kana"}, {"creatorName": "TAKAHASHI, OHGI", "creatorNameLang": "en"}]}]}, "item_1_description_11": {"attribute_name": "抄録(日)", "attribute_value_mlt": [{"subitem_description": "Computational simulations can reproduce or predict structural changes of proteins upon various mutations in a short time.In this study,molecular dynamics simulations of the wild type and mutants of bovine pancreatic trypsin inhibitor with explicit solvent were carried out to evaluate reliability of molecular dynamics simulation.We used two force fields,ff03 and ff99SB,and compared the results.Effects of the amino acid mutations on structural stability were largely reproduced by the simulations.", "subitem_description_language": "en", "subitem_description_type": "Abstract"}]}, "item_1_source_id_13": {"attribute_name": "雑誌書誌ID", "attribute_value_mlt": [{"subitem_source_identifier": "AA1149311X", "subitem_source_identifier_type": "NCID"}]}, "item_files": {"attribute_name": "ファイル情報", "attribute_type": "file", "attribute_value_mlt": [{"accessrole": "open_date", "date": [{"dateType": "Available", "dateValue": "2010-12-01"}], "displaytype": "detail", "download_preview_message": "", "file_order": 0, "filename": "KJ00007291499.pdf", "filesize": [{"value": "5.3 MB"}], "format": "application/pdf", "future_date_message": "", "is_thumbnail": false, "licensetype": "license_11", "mimetype": "application/pdf", "size": 5300000.0, "url": {"label": "KJ00007291499", "objectType": "fulltext", "url": "https://tohoku-mpu.repo.nii.ac.jp/record/77/files/KJ00007291499.pdf"}, "version_id": "de73a86e-cade-42f7-a9a3-7e161a985184"}]}, "item_keyword": {"attribute_name": "キーワード", "attribute_value_mlt": [{"subitem_subject": "explicit solvent, molecular dynamics, bovine pancreatic trypsin inhibitor, force field, mutant", "subitem_subject_language": "en", "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": "明示的に水を取り扱った分子動力学シュミレーションの変異体の計算に対する有用性の検討.Bovine Pancreatic Trypsin Inhibitorを用いた試験", "item_titles": {"attribute_name": "タイトル", "attribute_value_mlt": [{"subitem_title": "明示的に水を取り扱った分子動力学シュミレーションの変異体の計算に対する有用性の検討.Bovine Pancreatic Trypsin Inhibitorを用いた試験", "subitem_title_language": "ja"}, {"subitem_title": "Evaluation of Molecular Dynamics Simulation with Explicit Solvent Using Bovine Pancreatic Trypsin Inhibitor", "subitem_title_language": "en"}]}, "item_type_id": "1", "owner": "15", "path": ["14"], "permalink_uri": "https://tohoku-mpu.repo.nii.ac.jp/records/77", "pubdate": {"attribute_name": "PubDate", "attribute_value": "2010-12-01"}, "publish_date": "2010-12-01", "publish_status": "0", "recid": "77", "relation": {}, "relation_version_is_last": true, "title": ["明示的に水を取り扱った分子動力学シュミレーションの変異体の計算に対する有用性の検討.Bovine Pancreatic Trypsin Inhibitorを用いた試験"], "weko_shared_id": -1}