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タイトル: Molecular dynamics study of laccase immobilized on self-assembled monolayer-modified Au
著者: Miyazawa, Naoki  kyouindb  KAKEN_id  orcid https://orcid.org/0000-0003-2983-7106 (unconfirmed)
Tanaka, Masahiro
Hakamada, Masataka  kyouindb  KAKEN_id  orcid https://orcid.org/0000-0002-8082-2148 (unconfirmed)
Mabuchi, Mamoru  kyouindb  KAKEN_id  orcid https://orcid.org/0000-0002-0894-6306 (unconfirmed)
著者名の別形: 宮澤, 直己
田中, 将浩
袴田, 昌高
馬渕, 守
発行日: Nov-2017
出版者: Springer US
誌名: Journal of Materials Science
巻: 52
号: 21
開始ページ: 12848
終了ページ: 12853
抄録: Molecular dynamics simulations of laccase immobilized by 4-aminothiophenol (4-ATP) were performed to understand the origin of the enhanced catalytic activity at 350 K of laccase immobilized by self-assembled monolayers. The simulation showed that laccase was stabilized by bonding with 4-ATP. In addition, docking simulation of 2, 6-dimethoxyphenol (DMP) to laccase revealed that the hydrophobic interaction energy was increased by bonding with 4-ATP. The variations of docking site size were minor considering the dimensions of DMP molecule. Therefore, it is suggested that the enhanced catalytic activity of laccase with 4-ATP is attributed to the high hydrophobic interaction energy between laccase and DMP.
著作権等: This is a post-peer-review, pre-copyedit version of an article published in 'Journal of Materials Science'. The final authenticated version is available online at: https://doi.org/10.1007/s10853-017-1392-z./ The full-text file will be made open to the public on 17 July 2018 in accordance with publisher's 'Terms and Conditions for Self-Archiving'.
この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。
This is not the published version. Please cite only the published version.
URI: http://hdl.handle.net/2433/237663
DOI(出版社版): 10.1007/s10853-017-1392-z
出現コレクション:学術雑誌掲載論文等

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