Calculation of cyclodextrin binding affinities: Energy, entropy, and implications for drug design

Biophysical Journal

Volumn 87, Issue 5, 2004, Pages 3035-3049

  Chen, Wei ^a   Chang, Chia En ^a   Gilson, Michael K ^a  

^a UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALPHA CYCLODEXTRIN; BENZENE; BETA CYCLODEXTRIN; FLURBIPROFEN; GAMMA CYCLODEXTRIN; NABUMETONE; NAPROXEN; RESORCINOL; ALKANONE; CYCLODEXTRIN; NONSTEROID ANTIINFLAMMATORY AGENT; RESORCINOL DERIVATIVE;

ARTICLE; BINDING AFFINITY; DRUG CONFORMATION; DRUG DESIGN; DRUG STRUCTURE; ENERGY; ENTHALPY; ENTROPY; LIGAND BINDING; MATHEMATICAL ANALYSIS; SOLVATION; ALGORITHM; BINDING SITE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; CONFORMATION; DRUG DELIVERY SYSTEM; ENERGY TRANSFER; EVALUATION; KINETICS; METHODOLOGY;

ALGORITHMS; ANTI-INFLAMMATORY AGENTS, NON-STEROIDAL; BENZENE; BINDING SITES; BUTANONES; COMPUTER SIMULATION; CYCLODEXTRINS; DRUG DELIVERY SYSTEMS; DRUG DESIGN; ENERGY TRANSFER; ENTROPY; FLURBIPROFEN; KINETICS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; NAPROXEN; RESORCINOLS;

EID: 16344395749     PISSN: 00063495     EISSN: None     Source Type: Journal    
DOI: 10.1529/biophysj.104.049494     Document Type: Article

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