Bayesian ensemble refinement by replica simulations and reweighting
Bayesian ensemble refinement by replica simulations and reweighting is a scholarly work by Gerhard Hummer, published in 2015 in ''Journal of Chemical Physics''. The main subjects of the publication include Bayesian inference, Ensemble forecasting, protein structure prediction, Markov chain Monte Carlo, statistical physics, Gaussian process, posterior probability, canonical ensemble, nuclear magnetic resonance, Bayesian probability, computer science, Monte Carlo method, observable, hyperparameter, algorithm, and replica. The authors show that the strength of the restraints should scale linearly with the number of replicas to ensure convergence to the optimal Bayesian result in the limit of infinitely many replicas.