Boosting the conformational sampling by combining replica exchange with solute tempering and well-sliced metadynamics.
Anji Babu KapakayalaNisanth N. NairPublished in: J. Comput. Chem. (2021)
Keyphrases
- markov chain monte carlo
- bayesian inference
- restricted boltzmann machine
- generative model
- approximate inference
- monte carlo
- posterior distribution
- posterior probability
- parameter estimation
- markov chain
- learning algorithm
- particle filter
- hyperparameters
- bayesian networks
- neural network
- particle filtering
- simulated annealing
- supervised learning
- loopy belief propagation
- machine learning