TY  - JOUR
AU  - Saura, Patricia
AU  - Suardíaz Delrío, Reynier
AU  - Masgrau, Laura
AU  - González-Lafont, Àngels
AU  - Rosta, Edina
AU  - Lluch, José 
PY  - 2017
DO  - 10.1021/acscatal.7b00842
SN  - 2155-5435
UR  - https://hdl.handle.net/20.500.14352/92483
T2  - ACS Catalysis
AB  - Lipoxygenases (LOXs) are a family of enzymes that catalyze the highly specific hydroperoxidation of polyunsaturated fatty acids, such as arachidonic acid. Different stereo- or/and regioisomer hydroperoxidation products lead later to different...
LA  - eng
M2  - 4854
PB  - American Chemical Society
KW  - Ala-versus-Gly concept
KW  - Arachidonic acid
KW  - Coral 8R-lipoxygenase
KW  - Enzyme catalysis
KW  - Free energy calculations
KW  - Molecular dynamics simulations
KW  - QM/MM calculations
TI  - Understanding the Molecular Mechanism of the Ala-versus-Gly Concept Controlling the Product Specificity in Reactions Catalyzed by Lipoxygenases: A Combined Molecular Dynamics and QM/MM Study of Coral 8R-Lipoxygenase
TY  - journal article
VL  - 7
ER  -