Binding and docking interactions of NO, CO and O2 in heme proteins as probed by density functional theory

International Journal of Molecular Sciences

Volumn 10, Issue 9, 2009, Pages 4137-4156

  Daskalakis, Vangelis ^a   Varotsis, Constantinos ^b  

^a INSTITUTE OF ELECTRONIC STRUCTURE AND LASER   (Greece)

^b UNIVERSITY OF CRETE   (Greece)

Author keywords

Density functional theory; Ligand molecules; Protein cavities; Proximal effect

Indexed keywords

AMINO ACID; CARBON MONOXIDE; HEMOPROTEIN; LIGAND; METAL; NITRIC OXIDE; OXYGEN;

DENSITY FUNCTIONAL THEORY; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULE; PROTEIN BINDING; PROTEIN INTERACTION; REVIEW;

DENSITY FUNCTIONAL THEORY; LIGAND MOLECULES; PROTEIN CAVITIES; PROXIMAL EFFECT;

BINDING SITES; CARBON MONOXIDE; HEMEPROTEINS; HYDROGEN BONDING; MODELS, CHEMICAL; MODELS, MOLECULAR; NITRIC OXIDE; OXYGEN; PROTEIN BINDING; QUANTUM THEORY;

EID: 70350044177     PISSN: None     EISSN: 14220067     Source Type: Journal    
DOI: 10.3390/ijms10094137     Document Type: Review

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