Replica Exchange Molecular Dynamics Simulation of the unbiased folding of a Trp-cage miniprotein in an explicit solvent. The water molecules are not shown here.
The movie depicts one single replica (out of 40) reaching the native folded structure within about 30-40 ns of simulation time.
The temperature range is between 280 and 538 K. The study has been published in
J. Struct. Biol. 157, 524-533 (2007) and Proc. Natl. Acad. Sci. USA 105, 17754-17759 (2008)
hexawater 9 months ago