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  1. B200 工学部/工学研究科
  2. B200a 雑誌掲載論文
  3. 学術雑誌

SPICA Force Field for Lipid Membranes: Domain Formation Induced by Cholesterol

http://hdl.handle.net/2237/00030141
http://hdl.handle.net/2237/00030141
a5c2fe4d-d4bb-4e8f-8b2f-f7cb18c86303
名前 / ファイル ライセンス アクション
submission_version.pdf submission_version (3.9 MB)
Item type 学術雑誌論文 / Journal Article(1)
公開日 2019-05-09
タイトル
タイトル SPICA Force Field for Lipid Membranes: Domain Formation Induced by Cholesterol
言語 en
著者 Seo, Sangjae

× Seo, Sangjae

WEKO 90970

en Seo, Sangjae

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Shinoda, Wataru

× Shinoda, Wataru

WEKO 90971

en Shinoda, Wataru

Search repository
アクセス権
アクセス権 open access
アクセス権URI http://purl.org/coar/access_right/c_abf2
権利
言語 en
権利情報 “This document is the Accepted Manuscript version of a Published Work that appeared in final form in [Journal of Chemical Theory and Computation], copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see [https://pubs.acs.org/articlesonrequest/AOR-8jyNBbDxuMJjIPBjauyS].”
抄録
内容記述 Heterogeneity is essential for multicomponent lipid membranes. Especially, sterol-induced domain formation in membranes has recently attracted attention because of its biological importance. To investigate such membrane domains at the molecular level, coarse-grained molecular dynamics (CG-MD) simulations are a promising approach since they allow one to consider the temporal and spatial scales involved in domain formation. In this work, we present a new CG force field, named SPICA, which can accurately predict domain formation within various lipids in membranes. The SPICA force field was developed as an extension of a previous CG model, known as SDK (Shinoda–DeVane–Klein), in which membrane properties such as tension, elasticity, and structure are well reproduced. By examining domain formation in a series of ternary lipid bilayers, we observed a separation into liquid-ordered and liquid-disordered phases fully consistent with experimental observations. Importantly, it is shown that the SPICA force field can detect the different phase behavior that results from subtle differences in the lipid composition of the bilayer.
言語 en
内容記述タイプ Abstract
内容記述
内容記述 ファイル公開:2020-01-08
言語 ja
内容記述タイプ Other
出版者
言語 en
出版者 ACS Publications
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
出版タイプ
出版タイプ AM
出版タイプResource http://purl.org/coar/version/c_ab4af688f83e57aa
DOI
関連タイプ isVersionOf
識別子タイプ DOI
関連識別子 https://doi.org/10.1021/acs.jctc.8b00987
ISSN(print)
収録物識別子タイプ PISSN
収録物識別子 1549-9618
書誌情報 en : Journal of Chemical Theory and Computation

巻 15, 号 1, p. 762-774, 発行日 2019-01-08
著者版フラグ
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