Theoretical investigation into the cooperativity effect between the intermolecular &#960;â&#960; and H-bonding interactions in the curcuminâcytosineâH<sub>2</sub>O system.

Pan, Jie; Cao, Duan-Lin; Ren, Fu-de; Wang, Jian-Long; Yang, Lu

Theoretical investigation into the cooperativity effect between the intermolecular πâπ and H-bonding interactions in the curcuminâcytosineâH₂O system.

Pan, Jie; Cao, Duan-Lin; Ren, Fu-de; Wang, Jian-Long; Yang, Lu.

Afiliação

Pan J; School of Chemical Engineering and Technology, North University of China, Taiyuan, 030051, China. panjiezbdx@126.com.
Cao DL; School of Chemical Engineering and Technology, North University of China, Taiyuan, 030051, China.
Ren FD; School of Chemical Engineering and Technology, North University of China, Taiyuan, 030051, China.
Wang JL; School of Chemical Engineering and Technology, North University of China, Taiyuan, 030051, China.
Yang L; Software School of North University of China, Taiyuan, 030051, China.

J Mol Model ; 24(10): 298, 2018 Sep 28.

Article em En | MEDLINE | ID: mdl-30267159

Assuntos

Curcumina/química; Citosina/química; Modelos Moleculares; Água/química; Descoberta de Drogas; Ligação de Hidrogênio

Palavras-chave

Cooperativity effect between the πâπ and H-bonding interactions; Curcuminâcytosine interaction; Hydration; MP2; Surface electrostatic potentials

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Água / Modelos Moleculares / Curcumina / Citosina Idioma: En Ano de publicação: 2018 Tipo de documento: Article

Texto completo

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PubMed Links

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Água / Modelos Moleculares / Curcumina / Citosina Idioma: En Ano de publicação: 2018 Tipo de documento: Article