Protein simulations combining an all-atom force field with a Go term

Document Type

Article

Publication Date

8-13-2007

Abstract

Using a variant of parallel tempering, we study the changes in sampling within a simulation, when the all-atom model is coupled to a Go-like potential. We find that the native structure is not the lowest-energy configuration in the all-atom force field. Adding a Go term deforms the energy landscape in such a way that the native configuration becomes the global minimum but does not lead to faster thermalization. © IOP Publishing Ltd.

Publication Title

Journal of Physics Condensed Matter

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