Competitive and reversible binding of a guest molecule to its host in aqueous solution through molecular dynamics simulation: Benzyl alcohol/β-cyclodextrin system

Journal of Physical Chemistry B

Volumn 106, Issue 18, 2002, Pages 4863-4872

  Varady, Judith ^a   Wu, Xiongwu ^b   Wang, Shaomeng ^a  

^a UNIVERSITY OF MICHIGAN   (United States)

^b NATIONAL HEART LUNG AND BLOOD INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

SELF-GUIDED MOLECULAR DYNAMICS (SGMD) SIMULATION METHODS;

CHEMICAL BONDS; COMPLEXATION; CONFORMATIONS; CRYSTAL ATOMIC STRUCTURE; DRUG PRODUCTS; MACROMOLECULES; PHENOLS; SOLUTIONS; X RAY DIFFRACTION ANALYSIS;

MOLECULAR DYNAMICS;

EID: 0037046768     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0131469     Document Type: Article

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