Molecular dynamics study of the conformational dynamics and energetics of some large-ring cyclodextrins (CDn, n = 24, 25, 26, 27, 28, 29)

Chirality

Volumn 19, Issue 3, 2007, Pages 203-213

  Gotsev, Martin G ^a   Ivanov, Petko M ^a,b   Jaime, Carlos ^b  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

^b UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

Author keywords

AMBER; Conformational analysis; Cyclodextrins; Macroring shapes; Molecular dynamics

Indexed keywords

CYCLODEXTRIN; CYCLODEXTRIN DERIVATIVE; WATER;

ARTICLE; CHIRALITY; CONFORMATION; DRUG STRUCTURE; ENERGY TRANSFER; HYDROGEN BOND; MACROMOLECULE; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; MOLECULAR SIZE; POLYMERIZATION; PRIORITY JOURNAL; SIMULATION; X RAY ANALYSIS;

EID: 33847236989     PISSN: 08990042     EISSN: 1520636X     Source Type: Journal    
DOI: 10.1002/chir.20365     Document Type: Article

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