A QM/MM study of the reaction mechanism of human β-ketoacyl reductase

2017 ◽  
Vol 19 (1) ◽  
pp. 347-355 ◽  
Author(s):  
Fabiola E. Medina ◽  
Rui P. P. Neves ◽  
Maria J. Ramos ◽  
Pedro A. Fernandes
Keyword(s):  
Fatty Acid ◽  
Reaction Mechanism ◽  
Fatty Acid Synthase ◽  
Biological Functions ◽  
Multifunctional Enzyme

Human fatty acid synthase (hFAS) is a multifunctional enzyme involved in a wide diversity of biological functions. We have studied its reaction mechanism with computational QM/MM methods.

scholarly journals Reaction mechanism of recombinant 3-oxoacyl-(acyl-carrier-protein) synthase III from Cuphea wrightii embryo, a fatty acid synthase type II condensing enzyme

2000 ◽  
Vol 345 (1) ◽  
pp. 153 ◽  
Author(s):  
Amine ABBADI ◽  
Monika BRUMMEL ◽  
Burkhardt S. SCHÜTT ◽  
Mary B. SLABAUGH ◽  
Ricardo SCHUCH ◽  
...  
Keyword(s):  
Fatty Acid ◽  
Reaction Mechanism ◽  
Fatty Acid Synthase ◽  
Acyl Carrier Protein ◽  
Carrier Protein ◽  
Type Ii ◽  
Condensing Enzyme

QM/MM Study of the Reaction Mechanism of the Dehydratase Domain from Mammalian Fatty Acid Synthase

ACS Catalysis ◽  
2018 ◽  
Vol 8 (11) ◽  
pp. 10267-10278 ◽  
Author(s):  
Fabiola E. Medina ◽  
Rui P. P. Neves ◽  
Maria J. Ramos ◽  
Pedro A. Fernandes
Keyword(s):  
Fatty Acid ◽  
Reaction Mechanism ◽  
Fatty Acid Synthase
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