Energetics and <i>J</i>-coupling constants for Ala, Gly, and Val peptides demonstrated using ABEEM polarizable force field <i>in vacuo</i> and an aqueous solution.

Zhang, Chao; Zhao, Dong-Xia; Feng, Yue; Wang, Jie; Yang, Zhong-Zhi

Energetics and J-coupling constants for Ala, Gly, and Val peptides demonstrated using ABEEM polarizable force field in vacuo and an aqueous solution.

Zhang, Chao; Zhao, Dong-Xia; Feng, Yue; Wang, Jie; Yang, Zhong-Zhi.

Afiliação

Zhang C; School of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian, Liaoning, P. R. China. zhaodxchem@lnnu.edu.cn.
Zhao DX; School of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian, Liaoning, P. R. China. zhaodxchem@lnnu.edu.cn.
Feng Y; School of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian, Liaoning, P. R. China. zhaodxchem@lnnu.edu.cn.
Wang J; School of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian, Liaoning, P. R. China. zhaodxchem@lnnu.edu.cn.
Yang ZZ; School of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian, Liaoning, P. R. China. zhaodxchem@lnnu.edu.cn.

Phys Chem Chem Phys ; 24(7): 4232-4250, 2022 Feb 16.

Article em En | MEDLINE | ID: mdl-35133357

Assuntos

Simulação de Dinâmica Molecular; Água; Espectroscopia de Ressonância Magnética; Conformação Molecular; Peptídeos; Água/química

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Água / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2022 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Base de dados: MEDLINE Assunto principal: Água / Simulação de Dinâmica Molecular Idioma: En Ano de publicação: 2022 Tipo de documento: Article