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Figure 1 | BMC Bioinformatics

Figure 1

From: Building Markov state models with solvent dynamics

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.

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