Energy profiles for the rate-limiting stage of the serine protease prototype reaction

International Journal of Quantum Chemistry

Volumn 88, Issue 1, 2002, Pages 34-40

  Nemukhin, Alexander V ^a   Topol, Igor A ^b   Burt, Stanley K ^b  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

^b SAIC FREDERICK INC   (United States)

Author keywords

Quantum chemistry modeling; Reaction path; Serine protease

Indexed keywords

CARBON; CATALYSIS; MOLECULES; NEGATIVE IONS; NUMERICAL METHODS; OPTIMIZATION; OXYGEN; PROBABILITY DENSITY FUNCTION; RATE CONSTANTS; SUBSTRATES; WATER;

DENSITY FUNCTIONAL THEORY; QUANTUM CHEMISTRY;

ENZYMES;

EID: 0037066188     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10076     Document Type: Article

References (13)