Integrated computer-aided drug design and biophysical simulation approaches to determine natural anti-bacterial compounds for Acinetobacter baumannii.

Sci Rep · 2022 · PMC9023527 · PMID 35449379

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highly significantno p-value reported

Pair correlation function -g (r) Pair correlation function (PCF), a radial distribution function, is a highly significant parameter in MD simulations to compute the average interaction density distribution of ligand atom(s) around specific receptor atom(s) 55 .

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