TY  - GEN
AU  - Yao,Jianzhuang
AU  - Luo,Haixia
AU  - Wang,Xia
TI  - Understanding the Catalytic Mechanism and the Substrate Specificity of an Engineered Gluten Hydrolase by QM/MM Molecular Dynamics and Free Energy Simulations
SN  - 1549-960X
PY  - 2018///0129
KW  - Acylation
KW  - Binding Sites
KW  - Catalysis
KW  - Catalytic Domain
KW  - Celiac Disease
KW  - enzymology
KW  - Glutens
KW  - metabolism
KW  - Hydrolases
KW  - chemistry
KW  - Molecular Dynamics Simulation
KW  - Quantum Theory
KW  - Substrate Specificity
KW  - Thermodynamics
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1021/acs.jcim.7b00167
ER  -