Computational Study on Potentially Active Antibacterial Compounds in Secondary Metabolites of Extremophilic Microorganisms.

As illustrated in Figure 10c , throughout the 0–150 ns simulation period, both the M complex and the 1 complex exhibit a clear trend of structural expansion, with progressively increasing Rg values; notably, the expansion is more pronounced in the M complex.

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During the simulation, both the M complex and the 1 complex exhibited a pronounced trend toward structural contraction, as evidenced by a progressive decrease in SASA values followed by stabilization.

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