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. Author manuscript; available in PMC: 2020 Apr 1.
Published in final edited form as: Curr Opin Struct Biol. 2019 Feb 1;55:1–7. doi: 10.1016/j.sbi.2018.12.010

Figure 1.

Figure 1.

General comparison of template-based and free docking methods for an example heterodimer target. (a) A template-based method begins with the target sequences, using a template search to identify an existing heterodimer template from the PDB (Protein Data Bank). Homology modeling is used to map the target sequence onto the template structure. The model is refined to its final form. (b) In free docking the two components must be individually crystallized. Billions of protein conformations are evaluated, often through the use of an FFT-based algorithm. Final models of the heterodimer are ranked and minimized.