Mapping the network of pathways of CO diffusion in myoglobin

Journal of the American Chemical Society

Volumn 132, Issue 3, 2010, Pages 1010-1017

  Maragliano, Luca ^a   Cottone, Grazia ^b   Ciccotti, Giovanni ^c   Vanden Eijnden, Eric ^d  

^a UNIVERSITY OF CHICAGO   (United States)

^b UNIVERSITY OF PALERMO   (Italy)

^c SAPIENZA UNIVERSITY OF ROME   (Italy)

^d NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC SIMULATIONS; BINDING CAVITY; BINDING PROCESS; CO DIFFUSION; CO MOLECULE; DOCKING SITES; DYNAMICAL TRAPS; EXPLICIT SOLVENTS; LOCAL MINIMUMS; MINIMUM FREE ENERGIES; POTENTIAL OF MEAN FORCE; SWEEP METHOD;

DIFFUSION; FREE ENERGY; LIGANDS; PHOSPHATASES; PROTEINS; THREE DIMENSIONAL;

BINDING ENERGY;

CARBON MONOXIDE; DOCKING PROTEIN; HISTIDINE; MYOGLOBIN; SOLVENT;

ARTICLE; BINDING SITE; CALCULATION; CRYSTALLOGRAPHY; DIFFUSION; ENERGY; FORCE; PROTEIN BINDING; SIMULATION; THREE DIMENSIONAL IMAGING;

CARBON MONOXIDE; COMPUTER SIMULATION; DIFFUSION; MYOGLOBIN; THERMODYNAMICS;

EID: 76149087182     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja905671x     Document Type: Article

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