Go to main content

using replica-exchange wang-landau simulation, the homology of lattice proteins is checked in the semi-flexible h0p model. The short protein crambin and five of its homologues in nature are mapped and studied in the model as examples to illustrate how this lattice protein model keeps the similarity among natural homologues. thermodynamic and structural quantities for these lattice homologues are extracted from the simulation for comparison. from these results, we conclude that the signals in specific heat curves among these lattice homologues are similar, showing their thermodynamic similarities are retained in the h0p lattice model. but the results also cast doubt on the structural similarities of these lattice homologues. furthermore, this study reviews the performance of the model through the investigation of degeneracy and folding signals with different values of chain stiffness.

Metric
From
To
Interval
Export
Download Full History