Toward quantitative simulations of carbon monoxide escape pathways in Myoglobin

Journal of Physical Chemistry B

Volumn 112, Issue 19, 2008, Pages 6147-6154

  Elber, Ron ^a   Gibson, Quentin H ^b  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^b RICE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; DYNAMICS; EQUATIONS OF MOTION; LIGANDS; MOLECULAR DYNAMICS; MOLECULES; PORPHYRINS; QUANTUM CHEMISTRY; RATE CONSTANTS;

BOND-LENGTHS; CLASSICAL EQUATIONS; ESCAPE RATE; HEME POCKETS; MOLECULAR DYNAMICS TRAJECTORIES; OVERALL RATE; PROTEIN MATRIX; SOLVATION SHELLS; TWO TYPES; TYPE II; WATER MOLECULES;

TRAJECTORIES;

CARBON MONOXIDE; LIGAND; MYOGLOBIN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DIFFUSION; PROTEIN TERTIARY STRUCTURE;

CARBON MONOXIDE; COMPUTER SIMULATION; DIFFUSION; LIGANDS; MODELS, MOLECULAR; MYOGLOBIN; PROTEIN STRUCTURE, TERTIARY;

EID: 44949204485     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0769779     Document Type: Article

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