Free energy simulations of a GTPase: GTP and GDP binding to archaeal initiation factor 2

Journal of Physical Chemistry B

Volumn 115, Issue 20, 2011, Pages 6749-6763

  Satpati, Priyadarshi ^a   Clavaguéra, Carine ^b   Ohanessian, Gilles ^b   Simonson, Thomas ^a  

^a LABORATOIRE DE BIOCHIMIE   (France)

^b LABORATOIRE HÉTÉROÉLÉMENTS ET COORDINATION   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BIOCHEMISTRY; COMPUTER SIMULATION; CONFORMATIONS; ERRORS; FREE ENERGY; MOLECULAR DYNAMICS; PROTEINS; QUANTUM CHEMISTRY;

ARCHAEAL; BINDING FREE ENERGY; CONFORMATIONAL STATE; ELECTRONIC DISTRIBUTION; ELECTRONIC-POLARIZABILITY; EXPLICIT TREATMENTS; FIXED CHARGES; FORCE FIELDS; FREE ENERGY CHANGE; FREE ENERGY SIMULATIONS; GTPASES; INITIATION FACTORS; LIGAND COORDINATES; PROTEIN BIOSYNTHESIS; QUANTUM CHEMICAL CALCULATIONS; SEMI-QUANTITATIVE; SIMULATION MODEL; SPECIFIC BINDING; STATISTICAL UNCERTAINTY;

BINDING ENERGY;

EID: 79958158111     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp201934p     Document Type: Article

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