Scatter Plot from Scientific Research

Two-dimensional free-energy surface of chignolin (see the Methods section for details), along a collective variable (CV) based on harmonic linear discriminant analysis (HLDA), and the C-alpha root-mean-square deviation (RMSD) from a folded configuration. The white star marks the initial configuration and the dashed line indicates the first-passage criterion. The white regions have free energy > 20 k B T .

DOI