TY  - GEN
AU  - Jitonnom,Jitrayut
AU  - Limb,Michael A L
AU  - Mulholland,Adrian J
TI  - QM/MM free-energy simulations of reaction in Serratia marcescens Chitinase B reveal the protonation state of Asp142 and the critical role of Tyr214
SN  - 1520-5207
PY  - 2015///0422
KW  - Aspartic Acid
KW  - chemistry
KW  - Chitinases
KW  - Glycosylation
KW  - Molecular Dynamics Simulation
KW  - Oxazoles
KW  - Protein Conformation
KW  - Protons
KW  - Quantum Theory
KW  - Serratia marcescens
KW  - Substrate Specificity
KW  - Tyrosine
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1021/jp500652x
ER  -