Conformations of some large-ring cyclodextrins derived from conformational search with molecular dynamics simulations and principal component analysis

Journal of Physical Chemistry B

Volumn 114, Issue 8, 2010, Pages 2650-2659

  Ivanov, Petko M ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; CYCLODEXTRINS; DATA STORAGE EQUIPMENT; DEFORMATION; EIGENVALUES AND EIGENFUNCTIONS; ELECTRIC REACTORS; GLUCOSE; MOLECULAR DYNAMICS; SILANES;

ATOMIC MOTION; CDS; CONFORMATIONAL SEARCH; DEFORMATION MODES; EIGEN-VALUE; MOLECULAR DYNAMICS SIMULATIONS; NATURAL MODES; PCA MODE; PRINCIPAL COMPONENTS; TIME INTERVAL; X RAY DATA;

PRINCIPAL COMPONENT ANALYSIS;

EID: 77749280023     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp9110426     Document Type: Article

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