Ligand binding affinities from MD simulations

Accounts of Chemical Research

Volumn 35, Issue 6, 2002, Pages 358-365

  Aqvist, Johan ^a   Luzhkov, Victor B ^a   Brandsdal, Bjørn O ^a,b  

^a UPPSALA UNIVERSITY   (Sweden)

^b UNIVERSITY OF TROMSØ   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

AQUEOUS SOLUTION; ARTICLE; BINDING AFFINITY; BINDING SITE; ION CHANNEL; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; MOLECULAR MODEL; MONTE CARLO METHOD; PROTEIN CONFORMATION; PROTEIN PROTEIN INTERACTION; ANIMAL; CHEMISTRY; COMPUTER SIMULATION; HUMAN; MOTION; PROTEIN BINDING; REVIEW; THERMODYNAMICS;

LIGAND; PROTEIN;

ANIMALS; COMPUTER SIMULATION; HUMANS; LIGANDS; MOTION; PROTEIN BINDING; PROTEINS; THERMODYNAMICS;

EID: 0036280661     PISSN: 00014842     EISSN: None     Source Type: Journal    
DOI: 10.1021/ar010014p     Document Type: Article

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