BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations.
Haohao FuJames C. GumbartHaochuan ChenXueguang ShaoWensheng CaiChristophe ChipotPublished in: J. Chem. Inf. Model. (2018)
Keyphrases
- graphical interface
- user friendly
- free energy
- belief propagation
- fixed point
- competitive learning
- upper bound
- posterior distribution
- user interface
- command line
- approximate inference
- graphical models
- software package
- uniform access
- message passing
- markov random field
- user friendly interface
- artificial intelligence
- closed form
- sample size
- higher order
- senior citizens