ログイン
言語:

WEKO3

  • トップ
  • コミュニティ
  • ランキング
AND
To
lat lon distance
To

Field does not validate



インデックスリンク

インデックスツリー

メールアドレスを入力してください。

WEKO

One fine body…

WEKO

One fine body…

アイテム

{"_buckets": {"deposit": "a6296ae9-36f6-4ec8-8ba6-39adff5fba3a"}, "_deposit": {"id": "26942", "owners": [], "pid": {"revision_id": 0, "type": "depid", "value": "26942"}, "status": "published"}, "_oai": {"id": "oai:nagoya.repo.nii.ac.jp:00026942"}, "item_10_biblio_info_6": {"attribute_name": "\u66f8\u8a8c\u60c5\u5831", "attribute_value_mlt": [{"bibliographicIssueDates": {"bibliographicIssueDate": "2003-09", "bibliographicIssueDateType": "Issued"}, "bibliographicIssueNumber": "3", "bibliographicPageStart": "036126", "bibliographicVolumeNumber": "68", "bibliographic_titles": [{"bibliographic_title": "Physical Review E"}]}]}, "item_10_description_4": {"attribute_name": "\u6284\u9332", "attribute_value_mlt": [{"subitem_description": "We introduce a procedure to construct weight factors, which flatten the probability density of the overlap with respect to some predefined reference configuration. This allows one to overcome free-energy barriers in the overlap variable. Subsequently, we generalize the approach to deal with the overlaps with respect to two reference configurations so that transitions between them are induced. We illustrate our approach by simulations of the brain peptide Met-enkephalin with the ECEPP/2 (Empirical Conformational Energy Program for Peptides) energy function using the global-energy-minimum and the second lowest-energy states as reference configurations. The free energy is obtained as functions of the dihedral and the root-mean-square distances from these two configurations. The latter allows one to identify the transition state and to estimate its associated free-energy barrier.", "subitem_description_type": "Abstract"}]}, "item_10_publisher_32": {"attribute_name": "\u51fa\u7248\u8005", "attribute_value_mlt": [{"subitem_publisher": "American Physical Society"}]}, "item_10_relation_11": {"attribute_name": "DOI", "attribute_value_mlt": [{"subitem_relation_type_id": {"subitem_relation_type_id_text": "https://doi.org/10.1103/PhysRevE.68.036126", "subitem_relation_type_select": "DOI"}}]}, "item_10_rights_12": {"attribute_name": "\u6a29\u5229", "attribute_value_mlt": [{"subitem_rights": "\u00a9 2003 American Physical Society"}]}, "item_10_select_15": {"attribute_name": "\u8457\u8005\u7248\u30d5\u30e9\u30b0", "attribute_value_mlt": [{"subitem_select_item": "publisher"}]}, "item_10_source_id_61": {"attribute_name": "ISSN\uff08print\uff09", "attribute_value_mlt": [{"subitem_source_identifier": "2470-0045", "subitem_source_identifier_type": "ISSN"}]}, "item_10_source_id_62": {"attribute_name": "ISSN\uff08Online\uff09", "attribute_value_mlt": [{"subitem_source_identifier": "2470-0053", "subitem_source_identifier_type": "ISSN"}]}, "item_creator": {"attribute_name": "\u8457\u8005", "attribute_type": "creator", "attribute_value_mlt": [{"creatorNames": [{"creatorName": "Berg, Bernd A."}], "nameIdentifiers": [{"nameIdentifier": "88281", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Noguchi, Hiroshi"}], "nameIdentifiers": [{"nameIdentifier": "88282", "nameIdentifierScheme": "WEKO"}]}, {"creatorNames": [{"creatorName": "Okamoto, Yuko"}], "nameIdentifiers": [{"nameIdentifier": "88283", "nameIdentifierScheme": "WEKO"}]}]}, "item_files": {"attribute_name": "\u30d5\u30a1\u30a4\u30eb\u60c5\u5831", "attribute_type": "file", "attribute_value_mlt": [{"accessrole": "open_date", "date": [{"dateType": "Available", "dateValue": "2018-12-25"}], "displaytype": "detail", "download_preview_message": "", "file_order": 0, "filename": "PhysRevE_68_036126.pdf", "filesize": [{"value": "256.0 kB"}], "format": "application/pdf", "future_date_message": "", "is_thumbnail": false, "licensetype": "license_free", "mimetype": "application/pdf", "size": 256000.0, "url": {"label": "PhysRevE_68_036126", "url": "https://nagoya.repo.nii.ac.jp/record/26942/files/PhysRevE_68_036126.pdf"}, "version_id": "2f441662-a61c-4810-bfd7-f732fd22fcdd"}]}, "item_language": {"attribute_name": "\u8a00\u8a9e", "attribute_value_mlt": [{"subitem_language": "eng"}]}, "item_resource_type": {"attribute_name": "\u8cc7\u6e90\u30bf\u30a4\u30d7", "attribute_value_mlt": [{"resourcetype": "journal article", "resourceuri": "http://purl.org/coar/resource_type/c_6501"}]}, "item_title": "Multioverlap simulations for transitions between reference configurations", "item_titles": {"attribute_name": "\u30bf\u30a4\u30c8\u30eb", "attribute_value_mlt": [{"subitem_title": "Multioverlap simulations for transitions between reference configurations"}]}, "item_type_id": "10", "owner": "1", "path": ["336/695/696"], "permalink_uri": "http://hdl.handle.net/2237/00029145", "pubdate": {"attribute_name": "\u516c\u958b\u65e5", "attribute_value": "2018-12-25"}, "publish_date": "2018-12-25", "publish_status": "0", "recid": "26942", "relation": {}, "relation_version_is_last": true, "title": ["Multioverlap simulations for transitions between reference configurations"], "weko_shared_id": null}
  1. B100 理学部/理学研究科
  2. B100a 雑誌掲載論文
  3. 学術雑誌

Multioverlap simulations for transitions between reference configurations

http://hdl.handle.net/2237/00029145
35c8be40-8e7e-479e-8c07-3245ec48012a
名前 / ファイル ライセンス アクション
PhysRevE_68_036126.pdf PhysRevE_68_036126 (256.0 kB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2018-12-25
タイトル
タイトル Multioverlap simulations for transitions between reference configurations
著者 Berg, Bernd A.

× Berg, Bernd A.

WEKO 88281

Berg, Bernd A.

Search repository
Noguchi, Hiroshi

× Noguchi, Hiroshi

WEKO 88282

Noguchi, Hiroshi

Search repository
Okamoto, Yuko

× Okamoto, Yuko

WEKO 88283

Okamoto, Yuko

Search repository
権利
権利情報 © 2003 American Physical Society
抄録
内容記述 We introduce a procedure to construct weight factors, which flatten the probability density of the overlap with respect to some predefined reference configuration. This allows one to overcome free-energy barriers in the overlap variable. Subsequently, we generalize the approach to deal with the overlaps with respect to two reference configurations so that transitions between them are induced. We illustrate our approach by simulations of the brain peptide Met-enkephalin with the ECEPP/2 (Empirical Conformational Energy Program for Peptides) energy function using the global-energy-minimum and the second lowest-energy states as reference configurations. The free energy is obtained as functions of the dihedral and the root-mean-square distances from these two configurations. The latter allows one to identify the transition state and to estimate its associated free-energy barrier.
内容記述タイプ Abstract
出版者
出版者 American Physical Society
言語
言語 eng
資源タイプ
資源タイプresource http://purl.org/coar/resource_type/c_6501
タイプ journal article
DOI
関連識別子
識別子タイプ DOI
関連識別子 https://doi.org/10.1103/PhysRevE.68.036126
ISSN(print)
収録物識別子タイプ ISSN
収録物識別子 2470-0045
ISSN(Online)
収録物識別子タイプ ISSN
収録物識別子 2470-0053
書誌情報 Physical Review E

巻 68, 号 3, p. 036126, 発行日 2003-09
著者版フラグ
値 publisher
戻る
0
views
See details
Views

Versions

Ver.1 2021-03-01 10:48:22.376891
Show All versions

Share

Mendeley CiteULike Twitter Facebook Print Addthis

Cite as

Export

OAI-PMH
  • OAI-PMH JPCOAR
  • OAI-PMH DublinCore
  • OAI-PMH DDI
Other Formats
  • JSON
  • BIBTEX

Confirm


Powered by CERN Data Centre & Invenio


Powered by CERN Data Centre & Invenio