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Author

C. Hetényi

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Open access Oct 2026

Bacterial actin MreB as a new antibiotic target

Actin homolog MreB plays a crucial role in the synthesis of the bacterial cell wall. Disruption of the MreB filament network results in the disruption of the cell wall, which thus serves an unconventional antibacterial strategy. A22, a small inhibitor molecule, binds directly to the MreB filament, altering its structur...

E. Bódis, Beáta Longauer, A. Lukács et al. · 0 citations
Open access Aug 2026

Robust Ligand Docking into Challenging Hydrated Binding Pockets

HydroDock is extended to challenging targets with open binding pockets, populated by highly mobile water molecules that are the most troublesome for drug design, and improved docking accuracy with increases of 28% (10%) in median structural (and ranking) performance.

Bayar Bayarsaikhan, C. Hetényi, B. Z. Zsidó · 0 citations

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