Structure and thermodynamics of α-, β-, and γ-cyclodextrin dimers. Molecular dynamics studies of the solvent effect and free binding energies

Journal of Organic Chemistry

Volumn 67, Issue 24, 2002, Pages 8602-8609

  Bonnet, Pascal ^a,b   Jaime, Carlos ^a   Morin Allory, Luc ^b  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^b Université d'Orléans   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DIMERS; MOLECULAR DYNAMICS; MONOMERS; SOLVENTS; STABILITY;

STABLE ORIENTATION;

THERMODYNAMICS;

ALPHA CYCLODEXTRIN; BETA CYCLODEXTRIN; DIMER; GAMMA CYCLODEXTRIN; SOLVENT; WATER;

AQUEOUS SOLUTION; ARTICLE; CHEMICAL STRUCTURE; COMPUTER SIMULATION; ENTHALPY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; SOLVATION; THERMODYNAMICS;

EID: 0037195674     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo026166v     Document Type: Article

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