Cooperative binding of cyclodextrin dimers to isoflavone analogues elucidated by free energy calculations

Journal of Physical Chemistry C

Volumn 118, Issue 13, 2014, Pages 7163-7173

  Zhang, Haiyang ^a,b   Tan, Tianwei ^a   Hetényi, Csaba ^c   Lv, Yongqin ^a   Van Der Spoel, David ^b  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

^b UPPSALA UNIVERSITY   (Sweden)

^c INSTITUTE OF EXPERIMENTAL MEDICINE   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING THERMODYNAMICS; CO-OPERATIVE EFFECTS; COOPERATIVE BINDING; FREE-ENERGY CALCULATIONS; MOLECULAR DYNAMICS SIMULATIONS; OVERALL STABILITIES; SOLVENT ENVIRONMENTS; SUPRAMOLECULAR ASSEMBLIES;

BIOCHEMISTRY; CYCLODEXTRINS; DIMERIZATION; DIMERS; FREE ENERGY; MOLECULAR DYNAMICS; MOLECULES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; ORGANIC COMPOUNDS; THERMODYNAMICS;

FLAVONOIDS;

EID: 84898079330     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp412041d     Document Type: Article

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