MC(JBW): Simple but smart Monte Carlo algorithm for free energy simulations of multiconformational molecules.
Hanoch SenderowitzW. Clark StillPublished in: J. Comput. Chem. (1998)
Keyphrases
- monte carlo
- free energy
- importance sampling
- monte carlo simulation
- objective function
- dynamic programming
- learning algorithm
- worst case
- markov chain
- matrix inversion
- search space
- k means
- kalman filter
- input data
- competitive learning
- bayesian framework
- neural network
- probabilistic model
- clustering algorithm
- machine learning