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

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

2009-08-04

arxiv.org/abs/0908.0419v1

J.H. Meinke & U.H.E. Hansmann. Protein simulations combining an all-atom force field with a Go term. J. Phys. - Condens. Mat 1

Biology

Quantitative Biology

Biomolecules

9 pages, 8 figures

Scientific paper

10.1088/0953-8984/19/28/285215

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 a way
that the native configuration becomes the global minimum.

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