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Exploring the Energy Landscapes of Protein Folding Simulations with Bayesian Computation
Exploring Energy Landscapes Protein Folding Simulations Bayesian Computation
2010/11/15
Nested sampling is a technique developed to explore probability distributions localised in an exponentially small area of the parameter space. The algorithm provides both posterior samples and an est...
All-Atom Protein-Folding Simulations in Generalized-Ensembles
All-Atom Protein-Folding Simulations Generalized-Ensembles
2010/10/19
We review the generalized-ensemble approach to protein studies. Focusing on the problem of secondary structure formation, we show that these sophisticated techniques allow efficient simulations of all...