Identification and prioritization of potential therapeutic molecules against LpxA from <i>Acinetobacter baumannii</i> - A computational study.

Curr Res Struct Biol · 2023 · PMC9988473 · PMID 36895415

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a decreasing trendno p-value reported

Significant deviations are observed in the LpxA-Z219244584 complex, where it displays a decreasing trend for the first 10 ns with lower SASA values than that of free protein, upon which it stabilises till 20 ns after it shows a slight upward shift till 35 ns followed by stabilised trajectory till the end with higher SASA and an average SASA value of 324.709 nm 2 . 4.4.

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