English

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

Biomolecules 2009-08-05 v1 Quantitative Methods

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 a way that the native configuration becomes the global minimum.

Cite

@article{arxiv.0908.0419,
  title  = {Protein simulations combining an all-atom force field with a Go term},
  author = {Jan H Meinke and Ulrich H E Hansmann},
  journal= {arXiv preprint arXiv:0908.0419},
  year   = {2009}
}

Comments

9 pages, 8 figures

R2 v1 2026-06-21T13:32:12.525Z