TY  - GEN
AU  - Cooper,April M
AU  - Kästner,Johannes
TI  - Averaging techniques for reaction barriers in QM/MM simulations
SN  - 1439-7641
PY  - 2015///0602
KW  - Isomerism
KW  - Molecular Dynamics Simulation
KW  - Prolyl Hydroxylases
KW  - chemistry
KW  - Quantum Theory
KW  - Thermodynamics
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1002/cphc.201402382
ER  -