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all-atom molecular dynamics simulation  (Molecular Dynamics Inc)

 
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    Molecular Dynamics Inc all-atom molecular dynamics simulation
    All Atom Molecular Dynamics Simulation, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/result/all-atom molecular dynamics simulation/product/Molecular Dynamics Inc
    Average 90 stars, based on 1 article reviews
    all-atom molecular dynamics simulation - by Bioz Stars, 2026-02
    90/100 stars

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    Stable interaction of UA with the kinase domain of AKT1. Plots generated from 100 ns molecular dynamics simulations, demonstrating structural and energetic properties of the UA-AKT1 complex: RMSD ( A ), RMSF ( B ), Rg ( C ), and SASA ( D ), short-range Coulombic potential ( E ) and short-range Lennard-Jones potential ( F ).

    Journal: Scientific Reports

    Article Title: Urolithin A suppressed osteosarcoma cell migration and invasion via targeting MMPs and AKT1

    doi: 10.1038/s41598-025-11804-2

    Figure Lengend Snippet: Stable interaction of UA with the kinase domain of AKT1. Plots generated from 100 ns molecular dynamics simulations, demonstrating structural and energetic properties of the UA-AKT1 complex: RMSD ( A ), RMSF ( B ), Rg ( C ), and SASA ( D ), short-range Coulombic potential ( E ) and short-range Lennard-Jones potential ( F ).

    Article Snippet: Plots generated from 100 ns molecular dynamics simulations, demonstrating structural and energetic properties of the UA-AKT1 complex: RMSD ( A ), RMSF ( B ), Rg ( C ), and SASA ( D ), short-range Coulombic potential ( E ) and short-range Lennard-Jones potential ( F ).

    Techniques: Generated