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Figure 3 | BMC Bioinformatics

Figure 3

From: Predicting protein ligand binding motions with the conformation explorer

Figure 3

Glutamine binding protein. Conformation Explorer provides a jmol viewer (A) which represents each rotated, equilibrated, and redocked structure as a single sphere, with the position of each sphere representing the θy, θx, θz rotation angle of domain S with respect to that of the starting structure (B), as explained in the text. We have colored the spheres by the sRMSD. The structure that minimizes sRMSD is in inset (C) and the holo structure is in (D). The fitness function includes docked energy, gyration radius, and foldx energy (GD, RG, EF) terms, and the structures that minimize these are show in E-G.

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