Computer simulation of biological macromolecules in generalized ensembles

Document Type

Article

Publication Date

1-1-1999

Abstract

For many years the emphasis in protein-folding simulations has been laid as to how to predict the three-dimensional structure of proteins. Only recently has there be a shift in interest towards the thermodynamics of folding. We show that generalized-ensemble techniques are well suited to study both questions for realistic protein models.

Publication Title

International Journal of Modern Physics C

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