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Simulation of confined tethered polymers
Published 2025Subjects: “…Molecular dynamics -- Simulation methods…”
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A single AKH neuropeptide activating three different fly AKH-receptors: an insecticide study via computational methods
Published 2021Subjects: “…Molecular dynamics simulation…”
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Structural characterisation, anticandidal activity and mode of action of a tryptophan end-tagged tick-derived peptide
Published 2024Subjects: “…Molecular dynamics simulations…”
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Atomistic Assessment of Drug-Phospholipid Interactions Consequent to Cancer Treatment: A Study of Anthracycline Cardiotoxicity
Published 2023Subjects: “…Classical Molecular Dynamics Simulations…”
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Screening of natural compounds inhibiting biofilm formation by antibiotic resistant enterobacteria using experimental trials and computational molecular modelling
Published 2024Subjects: “…molecular dynamic simulation…”
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Novel analogues of the scorpion venom-derived peptide, opistoporin 1, targeting gram-negative bacteria
Published 2025Subjects: “…Molecular dynamic simulations…”
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Modulation of virulence factors in biofilm-forming Klebsiella pneumoniae via selected South African medicinal plants and phytochemical compounds
Published 2023Subjects: “…Molecular dynamics simulations…”
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Antibacterial activity of synthetic peptide W5(Os-C) against Staphylococcus epidermidis ATCC 35984
Published 2024Subjects: “…Molecular dynamic simulation…”
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