Absolute FKBP binding affinities obtained via nonequilibrium unbinding simulations

Journal of Chemical Physics

Volumn 130, Issue 16, 2009, Pages

  Ytreberg, F Marty ^a  

^a UNIVERSITY OF IDAHO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LIGANDS; PROTEINS;

BINDING AFFINITIES; CUMULANT EXPANSION; EQUILIBRIUM APPROACHES; MOLECULAR SIMULATIONS; NON EQUILIBRIUM; NON-EQUILIBRIUM SIMULATIONS; PROTEIN-LIGAND BINDING AFFINITIES;

BINDING ENERGY;

ACETOIN; DIMETHYL SULFOXIDE; FK 506 BINDING PROTEIN; LIGAND;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HUMAN; METABOLISM; PROTEIN BINDING; PROTEIN CONFORMATION; THERMODYNAMICS;

ACETOIN; COMPUTER SIMULATION; DIMETHYL SULFOXIDE; HUMANS; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEIN CONFORMATION; TACROLIMUS BINDING PROTEINS; THERMODYNAMICS;

EID: 65149099238     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3119261     Document Type: Article

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