A theoretical study of supramolecular aggregation of polydopamine tetramer subunits in aqueous solution.

Yana, Janchai; Chiangraeng, Natthiti; Nimmanpipug, Piyarat; Lee, Vannajan Sanghiran

Yana, Janchai; Chiangraeng, Natthiti; Nimmanpipug, Piyarat; Lee, Vannajan Sanghiran.

Afiliación

Yana J; Department of Chemistry, Faculty of Science and Technology, Chiang Mai Rajabhat University, 50300, Chiang Mai, Thailand. Electronic address: janchai@g.cmru.ac.th.
Chiangraeng N; Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai, 50200, Thailand. Electronic address: natthiti.c@gmail.com.
Nimmanpipug P; Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai, 50200, Thailand; Center of Excellence in Materials Science and Technology, Chiang Mai University, Chiang Mai, 50200, Thailand. Electronic address: piyarat.n@cmu.ac.th.
Lee VS; Department of Chemistry, Drug Design Development Research Group, Center of Theoretical and Computational Physics (TCP), Faculty of Science, University of Malaya, 50603, Kuala Lumpur, Malaysia. Electronic address: vannajan@um.edu.my.

J Mol Graph Model ; 107: 107946, 2021 09.

Article en En | MEDLINE | ID: mdl-34119952

Asunto(s)

Simulación de Dinámica Molecular; Polímeros; Enlace de Hidrógeno; Indoles

Palabras clave

Aggregation; Binding energy; Kratky plot; MD simulation; Polydopamine

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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Polímeros / Simulación de Dinámica Molecular Idioma: En Revista: J Mol Graph Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2021 Tipo del documento: Article

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