A quantum mechanics/molecular mechanics study of the catalytic mechanism of the thymidylate synthase

Authors :: Kanaan, Natalia
Marti, Sergio
Moliner, Vicent
Kohen, Amnon
Source :: Biochemistry. March 27, 2007, Vol. 46 Issue 12, p3704, 10 p.
Publication Year :: 2007
Abstract: Hybrid quantum mechanics/molecular mechanics methods are used to study the molecular mechanism of the thymidylate synthase-catalyzed reaction. It is revealed that there are several new features of substantial mechanistic interest in the complete multistep enzyme mechanism.

Subjects :: Quantum theory -- Analysis
Thymidine -- Mechanical properties
Thymidine -- Structure
Heterogeneous catalysis -- Analysis
Biological sciences
Chemistry

Tools