Activation free energy of catechol O-methyltransferase. Corrections to the potential of mean force

Journal of Physical Chemistry A

Volumn 110, Issue 2, 2006, Pages 503-509

  Roca, Maite ^a   Moliner, Vicente ^a   Ruiz Pernía, J Javier ^b   Silla, Estanislao ^b   Tuñón, Iñaki ^b  

^a UNIVERSITAT JAUME I   (Spain)

^b UNIVERSITY OF VALENCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION FREE ENERGY; MOLECULAR MECHANICS (MM); QUANTUM SUBSYSTEM;

CHEMICAL REACTIONS; ENZYMES; FREE ENERGY; MOLECULAR DYNAMICS; QUANTUM THEORY;

ACTIVATION ENERGY;

CATECHOL METHYLTRANSFERASE;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; QUANTUM THEORY; THERMODYNAMICS; VIBRATION;

CATALYSIS; CATECHOL O-METHYLTRANSFERASE; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTUM THEORY; THERMODYNAMICS; VIBRATION;

EID: 31544436336     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0520953     Document Type: Article

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