Molecular recognition in different environments: β-Cyclodextrin dimer formation in organic solvents

Journal of Physical Chemistry B

Volumn 116, Issue 42, 2012, Pages 12684-12693

  Zhang, Haiyang ^a,b   Tan, Tianwei ^a   Feng, Wei ^a   Van Der Spoel, David ^b  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CYCLODEXTRINS; DIMERIZATION; DIMETHYL SULFOXIDE; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR RECOGNITION; MOLECULES; MONOMERS; ORGANIC SOLVENTS; SOLVENTS; VAN DER WAALS FORCES;

BETA-CYCLODEXTRIN; BINDING AFFINITIES; CYCLODEXTRIN DIMERS; DIFFERENT SOLVENTS; DIMER DISSOCIATION; FAST RATE; FORCE FIELDS; GUEST MOLECULES; HEAD-TO-HEAD DIMERS; IMPLICIT SOLVENT MODEL; LOW RATES; MOLECULAR DYNAMICS SIMULATIONS; NONAQUEOUS MEDIA; POLAR SOLVENTS; POTENTIALS OF MEAN FORCES; REPARAMETERIZATION; SOLVENT PROPERTIES; UMBRELLA SAMPLING; VAN DER WAALS INTERACTIONS;

DIMERS;

EID: 84867817091     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp308416p     Document Type: Article

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