A model for the shuttle motions of puerarin and daidzin inside the cavity of β-cyclodextrin in aqueous acetic acid: Insights from molecular dynamics simulations

Journal of Molecular Modeling

Volumn 18, Issue 1, 2012, Pages 221-227

  Zhang, Haiyang ^a   Feng, Wei ^a   Li, Cong ^a   Lv, Yongqin ^a   Tan, Tianwei ^a  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

Author keywords

cyclodextrin; Acetic acid; Complex; Molecular dynamics; Pueraria flavones

Indexed keywords

ACETIC ACID; BETA CYCLODEXTRIN; DAIDZIN; PUERARIN;

ARTICLE; COMPLEX FORMATION; ENERGY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOTION; PRIORITY JOURNAL; ROTATION; SIMULATION;

ACETIC ACID; BETA-CYCLODEXTRINS; CHROMATOGRAPHY; ISOFLAVONES; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION;

PUERARIA;

EID: 84856304547     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1036-1     Document Type: Article

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