Fig. 5: FSC analysis of SBCG2 granularity vs. effective charge density resolution.
From: Performance efficient macromolecular mechanics via sub-nanometer shape based coarse graining
a Charge density of the all-atom reference structure of HIV-1 CA. Regions of positive and negative charge density are colored blue and red, respectively. b Effective charge density resolutions via FSC for models NumCG ∈ [10, 250], plotted with two metrics: ζ0.143 and ζ0.500, green and blue, respectively. The dotted gray line represents a resolution of 1 nm, and the gray arrow indicates the first sub-nanometer model in the series. The inset plot shows the FSC vs. spatial frequency trace for HIV-1 CA with NumCG = 250. c Charge density of the all-atom reference structure of actin and d corresponding effective charge density analysis for actin models with NumCG ∈ [10, 540]. The inset plot corresponds to the FSC vs. spatial frequency trace for actin with NumCG = 540. e Charge density of the all-atom reference structure of cofilin-2 and f corresponding effective charge density analysis for cofilin-2 models with NumCG ∈ [10, 300]. The inset plot corresponds to the FSC vs. spatial frequency trace for cofilin-2 with NumCG = 540.
