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48 ta ish

Ish: Molecular understanding of the possible mechanisms of oligosaccharide oxidation by cold plasma

  1. Molecular dynamics with coupling to an external bath

    Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren +2

    Maqola198434 iqtibos
    ABI

  2. DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

    B. Hourahine, Bálint Aradi, Volker Blüm +36

    Maqola202014 iqtibos
    ABI

  3. Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties

    Marcus Elstner, D. Porezag, G. Jungnickel +5

    Maqola199812 iqtibos
    ABI

  4. Oxidative damage to hyaluronan–CD44 interactions as an underlying mechanism of action of oxidative stress-inducing cancer therapy

    Maksudbek Yusupov, Angela Privat‐Maldonado, Rodrigo M. Cordeiro +5

    MaqolaProteoglycans and glycosaminoglycans researchRedox Biology202110 iqtibos
    ABI

  5. Parameterization of the DFTB3 Method for Br, Ca, Cl, F, I, K, and Na in Organic and Biological Systems

    Maximilian Kubillus, Tomáš Kubař, Michael Gaus +2

    Maqola20149 iqtibos
    ABI

  6. Parameterization of DFTB3/3OB for Sulfur and Phosphorus for Chemical and Biological Applications

    Michael Gaus, Xiya Lu, Marcus Elstner +1

    Maqola20149 iqtibos
    ABI

  7. Parametrization and Benchmark of DFTB3 for Organic Molecules

    Michael Gaus, Albrecht Goez, Marcus Elstner

    Maqola20128 iqtibos
    ABI

  8. DFTB+, a Sparse Matrix-Based Implementation of the DFTB Method

    Bálint Aradi, B. Hourahine, Thomas Frauenheim

    Maqola20078 iqtibos
    ABI

  9. Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls

    Maksudbek Yusupov, Erik C. Neyts, Umedjon Khalilov +3

    Maqola20126 iqtibos
    ABI

  10. Plasma-Induced Destruction of Bacterial Cell Wall Components: A Reactive Molecular Dynamics Simulation

    Maksudbek Yusupov, Annemie Bogaerts, Stijn Huygh +3

    Maqola20136 iqtibos
    ABI

  11. The fate of plasma-generated oxygen atoms in aqueous solutions: non-equilibrium atmospheric pressure plasmas as an efficient source of atomic O<sub>(aq)</sub>

    Jan Benedikt, Mohamed Mokhtar Hefny, Alexander Shaw +4

    Maqola20186 iqtibos
    ABI

  12. Reactive Molecular Dynamics Simulations for a Better Insight in Plasma Medicine

    Annemie Bogaerts, Maksudbek Yusupov, Jonas Van der Paal +2

    Maqola20145 iqtibos
    ABI

  13. Inactivation of the Endotoxic Biomolecule Lipid A by Oxygen Plasma Species: A Reactive Molecular Dynamics Study

    Maksudbek Yusupov, Erik C. Neyts, Christof Verlackt +3

    Maqola20145 iqtibos
    ABI

  14. Periodate oxidized hyaluronic acid-based hydrogel scaffolds for tissue engineering applications

    Ashiq Hussain Pandit, Nasreen Mazumdar, Sharif Ahmad

    Sharh maqola20194 iqtibos
    ABI

  15. Reactive Molecular Dynamics Simulation of Fullerene Combustion Synthesis: ReaxFF vs DFTB Potentials

    Hu‐Jun Qian, Adri C. T. van Duin, Keiji Morokuma +1

    Maqola20113 iqtibos
    ABI

  16. An approximate DFT method for QM/MM simulations of biological structures and processes

    Marcus Elstner, Thomas Frauenheim, Sándor Suhai

    Maqola20033 iqtibos
    ABI

  17. Atmospheric plasma generates oxygen atoms as oxidizing species in aqueous solutions

    Mohamed Mokhtar Hefny, Cédric Pattyn, Petr Lukeš +1

    Maqola20163 iqtibos
    ABI

  18. A ReaxFF-based molecular dynamics study of the mechanisms of interactions between reactive oxygen plasma species and the <i>Candida albicans</i> cell wall

    Tong Zhao, L. Shi, Yuetong Zhang +2

    Maqola20173 iqtibos
    ABI

  19. Molecular dynamics simulation of <i>S. cerevisiae</i> glucan destruction by plasma ROS based on ReaxFF

    Jingxian Cui, Tong Zhao, Liang Zou +2

    Maqola20183 iqtibos
    ABI

  20. The EPS Matrix: The “House of Biofilm Cells”

    Hans‐Curt Flemming, Thomas R. Neu, Daniel J. Wozniak

    Maqola20072 iqtibos
    ABI

  21. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

  22. Periodate oxidation and macromolecular compaction of hyaluronan

    Kåre A. Kristiansen, Marianne Øksnes Dalheim, Bjørn E. Christensen

    Maqola20132 iqtibos
    ABI

  23. Effects of atmospheric cold plasma and ozone on prebiotic orange juice

    Francisca Diva Lima Almeida, Rosane Souza Cavalcante, Patrick J. Cullen +4

    Maqola20152 iqtibos
    ABI

  24. How do plasma-generated OH radicals react with biofilm components? Insights from atomic scale simulations

    N. Khosravian, Annemie Bogaerts, Stijn Huygh +2

    Maqola20142 iqtibos
    ABI

  25. Decomposition of sugars under non-thermal dielectric barrier discharge plasma

    Yingying Li, Gary Friedman, Alex Fridman +1

    Maqola20142 iqtibos
    ABI