Theoretical perspectives on the reaction mechanism of serine proteases: The reaction free energy profiles of the acylation process

Journal of the American Chemical Society

Volumn 125, Issue 39, 2003, Pages 12035-12048

  Ishida, Toyokazu ^a   Kato, Shigeki ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EXOTHERMIC PROCESSES;

ACTIVATION ENERGY; CONFORMATIONS; GROUND STATE; MOLECULAR DYNAMICS; POLARIZATION; REACTION KINETICS;

ENZYME IMMOBILIZATION;

ASPARTIC ACID; CARBONYL DERIVATIVE; GLYCINE; HISTIDINE; IMIDAZOLE DERIVATIVE; ISOLEUCINE; OXYGEN; SERINE; SERINE PROTEINASE;

AB INITIO CALCULATION; ACYLATION; AQUEOUS SOLUTION; ARTICLE; CATALYSIS; CONFORMATIONAL TRANSITION; ELECTRICITY; ENZYME ACTIVE SITE; ENZYME MECHANISM; ENZYME SUBSTRATE COMPLEX; FREE ENERGY PERTUBATION CALCULATION; MOLECULAR DYNAMICS; PHASE TRANSITION; POLARIZATION; PROTEIN DEGRADATION; PROTON TRANSPORT; REACTION ANALYSIS; STEREOSPECIFICITY; THERMOGENESIS;

BINDING SITES; CATALYSIS; COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; QUANTUM THEORY; SERINE ENDOPEPTIDASES; THERMODYNAMICS; TRYPSIN;

EID: 0141732211     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja021369m     Document Type: Article

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