Effect of protein environment within cytochrome P450cam evaluated using a polarizable-embedding QM/MM method

Journal of Physical Chemistry B

Volumn 118, Issue 8, 2014, Pages 2084-2092

  Thellamurege, Nandun M ^a   Hirao, Hajime ^a  

^a Nanyang Technological University   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; ELECTRIC FIELDS; ENZYMES; POLARIZATION; QUANTUM THEORY; VAN DER WAALS FORCES;

CATALYTIC EFFECTS; ENERGY DECOMPOSITION ANALYSIS; INDUCED DIPOLES; INTERMEDIATE STATE; NON-BONDING INTERACTIONS; POLARIZABLE FORCE FIELD; POLARIZATION EFFECT; STABILIZING INTERACTIONS;

PROTEINS;

CAMPHOR 5 MONOOXYGENASE;

ARTICLE; CHEMISTRY; METABOLISM; MOLECULAR DYNAMICS; PROTEIN CONFORMATION; QUANTUM THEORY; STATIC ELECTRICITY;

CAMPHOR 5-MONOOXYGENASE; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; QUANTUM THEORY; STATIC ELECTRICITY;

EID: 84896882744     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp412538n     Document Type: Article

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