The equilibrium properties and folding kinetics of an all-atom Go model of the Trp-cage.

@article{Linhananta2005TheEP,
  title={The equilibrium properties and folding kinetics of an all-atom Go model of the Trp-cage.},
  author={Apichart Linhananta and Jesse Boer and Ian Douglas Mackay},
  journal={The Journal of chemical physics},
  year={2005},
  volume={122 11},
  pages={
          114901
        }
}
The ultrafast-folding 20-residue Trp-cage protein is quickly becoming a new benchmark for molecular dynamics studies. Already several all-atom simulations have probed its equilibrium and kinetic properties. In this work an all-atom Go model is used to accurately represent the side-chain packing and native atomic contacts of the Trp-cage. The model reproduces the hallmark thermodynamics cooperativity of small proteins. Folding simulations observe that in the fast-folding dominant pathway… CONTINUE READING

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