Congratulations to Tope A. Ibisanmi, Xiaotao Jiang, Rasel Ahmed Khan, Tsz Tin Yu, Mark Willcox, and Naresh Kumar on the publication of their paper in Scientific Reports.
In this work, they present an integrative computational strategy to prioritize candidate inhibitors of MvfR key regulator of quorum sensing and biofilm formation in multidrug-resistant Pseudomonas aeruginosa—bringing together genomic context from clinical isolates, modelling, docking, phylogenetics, ADMET profiling, long-timescale molecular dynamics, binding–free-energy analysis, and DFT-based quantum chemistry.
Open access: Read the full article on Nature: Scientific Reports (Nature Portfolio) · DOI 10.1038/s41598-026-50613-z (published online 5 May 2026).
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