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. 2018 Oct 26;47(Database issue):D265–D270. doi: 10.1093/nar/gky1028

Figure 1.

Figure 1.

Perturbation-based model of allostery used in calculations. Top row: schemes of implementing the perturbations; ligand binding is mimicked by introducing strong interactions between residues of the binding site; mutations are modeled by increasing/decreasing force constants for interactions of mutated residue with its neighbors. Bottom row: Examples of the visualization of allosteric modulation caused by the ligand binding (left) and mutation (right).