Correction to Understanding the Catalytic Mechanism of Xanthosine Methyltransferase in Caffeine Biosynthesis from QM/MM Molecular Dynamics and Free Energy Simulations.
Ping QianHao-Bo GuoYufei YueLiang WangXiaohan YangHong GuoPublished in: J. Chem. Inf. Model. (2016)
Keyphrases
- molecular dynamics
- free energy
- molecular dynamics simulations
- high performance computing
- scientific data
- belief propagation
- approximate inference
- protein folding
- fluid flow
- upper bound
- fixed point
- neural network
- graphical models
- higher order
- competitive learning
- machine learning
- posterior distribution
- motion estimation
- probabilistic model
- bayesian networks
- three dimensional