Contributions of conformational compression and preferential transition state stabilization to the rate enhancement by chorismate mutase

Journal of the American Chemical Society

Volumn 125, Issue 23, 2003, Pages 6892-6899

  Guimarães, Cristiano Ruch Werneck ^a   Repasky, Matthew P ^b   Chandrasekhar, Jayaraman ^c   Tirado Rives, Julian ^a   Jorgensen, William L ^a  

^a YALE UNIVERSITY   (United States)

^b SCHRÖDINGER INC   (United States)

^c Neurogen Corporation   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CATALYSIS; COMPUTER SIMULATION; CONFORMATIONS; ENTHALPY; MONTE CARLO METHODS; PERTURBATION TECHNIQUES;

NEAR ATTACK CONFORMATIONS (NAC);

ENZYMES;

CHORISMATE MUTASE; WATER;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; CLAISEN REARRANGEMENT; COMPRESSION; ENERGY; ENTHALPY; ENZYME ACTIVE SITE; ENZYME CONFORMATION; ENZYME MECHANISM; ENZYME SUBSTRATE; MOLECULAR STABILITY; MONTE CARLO METHOD;

EID: 0038615889     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja021424r     Document Type: Article

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