|
Resolution: standard / high Figure 1.
Alanine dipeptide. (a) Solute structure. (b) Top 3 PCA directions for signature f(X, Y) (σ = 1). (c) A solvent-based state decomposition mapped to the PCA space. (d) A solute-based
state decomposition on the torsion angles map. (e) Projection of solvent-based clusters
onto the torsion angles map.
Gu et al. BMC Bioinformatics 2013 14(Suppl 2):S8 doi:10.1186/1471-2105-14-S2-S8 |
