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Figure 4 | BMC Biophysics

Figure 4

From: Numerical calculation of protein-ligand binding rates through solution of the Smoluchowski equation using smoothed particle hydrodynamics

Figure 4

Panel A shows the discretized domain with R 2=128 Å and the mAChE molecule in the center with the reactive boundary shown in purple. Light blue indicates the outer boundary (R 2), blue the solvent, green the protein, and magenta the first (outermost) reactive boundary. Panels B and C show reactive boundaries 1 and 4, respectively in magenta spheres.

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BMC Biophysics

ISSN: 2046-1682

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