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
Recommended Citation
Meinke, J.,
&
Hansmann, U.
(2007).
Protein simulations combining an all-atom force field with a Go term.
Journal of Physics Condensed Matter,
19(28).
http://doi.org/10.1088/0953-8984/19/28/285215
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/9627