Dynamic behavior and selective adsorption of a methanol/water mixture inside a cyclic peptide nanotube.

Si, Xialan; Fan, Jianfen; Xu, Jian; Zhao, Xin; Zhang, Lingling; Qu, Mengnan

Si, Xialan; Fan, Jianfen; Xu, Jian; Zhao, Xin; Zhang, Lingling; Qu, Mengnan.

Afiliação

Si X; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123, People's Republic of China.
Fan J; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123, People's Republic of China. jffan@suda.edu.cn.
Xu J; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123, People's Republic of China.
Zhao X; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123, People's Republic of China.
Zhang L; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123, People's Republic of China.
Qu M; College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123, People's Republic of China.

J Mol Model ; 24(7): 184, 2018 Jun 29.

Article em En | MEDLINE | ID: mdl-29959542

Assuntos

Metanol/química; Simulação de Dinâmica Molecular; Nanotubos de Peptídeos/química; Peptídeos Cíclicos/química; Água/química; Adsorção; Ligação de Hidrogênio; Relação Estrutura-Atividade

Palavras-chave

CPNT; MD simulation; Methanol selective adsorption; Methanol/water mixture

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Peptídeos Cíclicos / Água / Nanotubos de Peptídeos / Metanol / Simulação de Dinâmica Molecular Idioma: En Revista: J Mol Model Assunto da revista: BIOLOGIA MOLECULAR Ano de publicação: 2018 Tipo de documento: Article

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