Ontology highlight
ABSTRACT:
SUBMITTER: Lin CY
PROVIDER: S-EPMC3388226 | biostudies-literature | 2012 Jul
REPOSITORIES: biostudies-literature
Lin Chun-Yu CY Chen Nan-Yow NY Mou Chung Yu CY
Biophysical journal 20120701 1
We explore the possibility for the native structure of a protein being inherently multiconformational in an ab initio coarse-grained model. Based on the Wang-Landau algorithm, the complete free energy landscape for the designed sequence 2DX4: INYWLAHAKAGYIVHWTA is constructed. It is shown that 2DX4 possesses two nearly degenerate native structures: one is a helix structure with the other a hairpinlike structure, and their free energy difference is <2% of that of local minima. Two degenerate nati ...[more]