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. 2024 Jun 13;64(13):5194–5206. doi: 10.1021/acs.jcim.4c00338

Figure 6.

Figure 6

Position of the BPTI variants in the unbiased simulations of the fully bound state (solid lines) and the prebound state (dashed lines) as described by the center-of-mass distance r (left), Θp (center), and Φp (right). WT = wildtype.