Ab initio quantum chemical and mixed quantum mechanics/molecular mechanics (QM/MM) methods for studying enzymatic catalysis

Annual Review of Physical Chemistry

Volumn 56, Issue , 2005, Pages 389-427

  Friesner, Richard A ^a   Guallar, Victor ^b  

^a Och Spine at New York Presbyterian Hospitals   (United States)

^b WASHINGTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

DFT; Enzyme; P450

Indexed keywords

CATALYSIS; CHEMICAL ANALYSIS; ENZYMES; ISOMERS; MOLECULAR STRUCTURE; PROTEINS;

ENZYMATIC CATALYSIS; MIXED QUANTUM MECHANICS; MOLECULAR MECHANICS; QUANTUM CHEMICAL;

MOLECULAR DYNAMICS;

ANTIBODY; CYTOCHROME P450; METHANE MONOOXYGENASE; OXYGENASE; SOLVENT; TRIOSEPHOSPHATE ISOMERASE;

BINDING SITE; CATALYSIS; CHEMISTRY; ENZYME ACTIVATION; METABOLISM; QUANTUM THEORY; REVIEW;

ANTIBODIES; BINDING SITES; CATALYSIS; CYTOCHROME P-450 ENZYME SYSTEM; ENZYME ACTIVATION; OXYGENASES; QUANTUM THEORY; SOLVENTS; TRIOSE-PHOSPHATE ISOMERASE;

EID: 21244497608     PISSN: 0066426X     EISSN: None     Source Type: Book Series    
DOI: 10.1146/annurev.physchem.55.091602.094410     Document Type: Article

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