Modeling Protein S-Aromatic Motifs Reveals Their Structural and Redox Flexibility

Journal of Physical Chemistry B

Volumn 122, Issue 14, 2018, Pages 3760-3770

  Orabi, Esam A ^a,b   English, Ann M ^a  

^a Dept of Electrical and Computer Engineering   (Canada)

^b Assiut University   (Egypt)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIZATION; ATOMS; CHARGE TRANSFER; GASES; IONIZATION OF GASES; IONIZATION POTENTIAL; LIGANDS; MOLECULAR DYNAMICS; PHENOLS; PLANTS (BOTANY); POLYCYCLIC AROMATIC HYDROCARBONS; PROTEINS;

AROMATIC INTERACTIONS; BINDING CONFORMATIONS; BINDING FREE ENERGY; LENNARD-JONES PARAMETERS; MOLECULAR DYNAMICS SIMULATIONS; OPTIMIZED PARAMETER; PREFERENTIAL INTERACTION; VERTICAL IONIZATION POTENTIALS;

BINDING ENERGY;

PROTEIN S;

CHEMISTRY; MOLECULAR DYNAMICS; OXIDATION REDUCTION REACTION; PROTEIN CONFORMATION; QUANTUM THEORY;

MOLECULAR DYNAMICS SIMULATION; OXIDATION-REDUCTION; PROTEIN CONFORMATION; PROTEIN S; QUANTUM THEORY;

EID: 85045460282     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.8b00089     Document Type: Article

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