Fig. 2: Test systems. | Nature Machine Intelligence

Fig. 2: Test systems.

From: Dynamic particle swarm optimization of biomolecular simulation parameters with flexible objective functions

Fig. 2

a, Lysine-, arginine-, ornithine-binding protein in its holo (coloured) and apo (grey) state, with a GDT of 39.39. b, Adenylate kinase in its open (coloured) and closed (grey) state, with a GDT of 33.06. The colouring indicates the displacement of each alpha carbon in the initial structure with respect to the target state. The average alpha-carbon displacement in each coloured structure with respect to each grey structure is given. Structures are visualized with PyMOL58.

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