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. 2022 Jun 24;23(13):7034. doi: 10.3390/ijms23137034

Figure 10.

Figure 10

Result of MD simulation of Compound 4 (white sticks) and the PTP1B complex (2FJN). Transparent structures present a studied complex on start of simulation and filled structures present position after 50 ns. We highlight significant loops with separate colors; P-loop in orange, WPD-loop in yellow, E-loop in green, and Q-loop in red.