In Silico Beta Glucan and Mannan Oligosaccharide Towards ParE, RibD, FtsZ, and LpxC
Published: 23 August 2026| Version 2 | DOI: 10.17632/7tgzgz7fdw.2
Contributors:
Khusnul Qonita Maghfiroh, , , , Description
This dataset contains computational data generated to investigate the potential antibacterial activity of mannan oligosaccharides and beta glucans against selected bacterial protein targets. The repository includes protein–ligand docking complexes, binding affinity values, and molecular dynamics simulation data for four target proteins: ParE, RibD, FtsZ, and LpxC. These data provide information on the predicted binding interactions, stability, and dynamic behavior of the ligand–protein complexes, supporting the evaluation of mannan oligosaccharides and beta glucans as potential antibacterial agents.
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Institutions
- University of BrawijayaEast Java, Malang
Categories
Molecular Dynamics, Molecular Docking