How strong is the edge effect in the adsorption of anticancer drugs on a graphene cluster?

Rungnim, Chompoonut; Chanajaree, Rungroj; Rungrotmongkol, Thanyada; Hannongbua, Supot; Kungwan, Nawee; Wolschann, Peter; Karpfen, Alfred; Parasuk, Vudhichai

Rungnim, Chompoonut; Chanajaree, Rungroj; Rungrotmongkol, Thanyada; Hannongbua, Supot; Kungwan, Nawee; Wolschann, Peter; Karpfen, Alfred; Parasuk, Vudhichai.

Afiliación

Rungnim C; NANOTEC, National Science and Technology Development Agency (NSTDA), Pathum Thani, 12120, Thailand.
Chanajaree R; Metallurgy and Materials Science Research Institute (MMRI), Chulalongkorn University, Bangkok, 10330, Thailand.
Rungrotmongkol T; Structural and Computational Biology Research Group, Department of Biochemistry, Faculty of Science, Chulalongkorn University, Bangkok, 10330, Thailand.
Hannongbua S; Program in Bioinformatics and Computational Biology, Faculty of Science, Chulalongkorn University, Bangkok, 10330, Thailand.
Kungwan N; Computational Chemistry Unit Cell, Department of Chemistry, Faculty of Science, Chulalongkorn University, Bangkok, 10330, Thailand.
Wolschann P; Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai, 50200, Thailand.
Karpfen A; Computational Chemistry Unit Cell, Department of Chemistry, Faculty of Science, Chulalongkorn University, Bangkok, 10330, Thailand.
Parasuk V; Institute for Theoretical Chemistry, University of Vienna, Vienna, 1090, Austria.

J Mol Model ; 22(4): 85, 2016 Apr.

Article en En | MEDLINE | ID: mdl-26994019

Asunto(s)

Antineoplásicos/química; Fluorouracilo/química; Grafito/química; Mercaptopurina/química; Tioguanina/química; Adsorción; Modelos Químicos; Teoría Cuántica; Termodinámica

Palabras clave

Density functional theory; Graphene; Nucleobase-analog

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Tioguanina / Fluorouracilo / Grafito / Mercaptopurina / Antineoplásicos Idioma: En Revista: J Mol Model Asunto de la revista: BIOLOGIA MOLECULAR Año: 2016 Tipo del documento: Article País de afiliación: Tailandia Pais de publicación: Alemania

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