Before revision: Classical molecular dynamics (MD) simulations, within the AMBER program package that runs entirely on a CUDA-enabled NVIDIA graphic processing unit (GPU), were employed to study with low computational cost the dynamics of the methane-thiosulfonate spin label (MTSL) attached to the activation loop of  Aurora-A kinase.
After revision: Classical molecular dynamics (MD) simulations, within the AMBER program package that runs entirely on a CUDA-enabled NVIDIA graphic processing unit (GPU), were employed to study with low computational cost the dynamics of the activation loop of Aurora-A kinase.