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48 та иш

Иш: 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

    Мақола198434 иқтибос
    ABI

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

    B. Hourahine, Bálint Aradi, Volker Blüm +36

    Мақола202014 иқтибос
    ABI

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

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

    Мақола199812 иқтибос
    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

    МақолаProteoglycans and glycosaminoglycans researchRedox Biology202110 иқтибос
    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

    Мақола20149 иқтибос
    ABI

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

    Michael Gaus, Xiya Lu, Marcus Elstner +1

    Мақола20149 иқтибос
    ABI

  7. Parametrization and Benchmark of DFTB3 for Organic Molecules

    Michael Gaus, Albrecht Goez, Marcus Elstner

    Мақола20128 иқтибос
    ABI

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

    Bálint Aradi, B. Hourahine, Thomas Frauenheim

    Мақола20078 иқтибос
    ABI

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

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

    Мақола20126 иқтибос
    ABI

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

    Maksudbek Yusupov, Annemie Bogaerts, Stijn Huygh +3

    Мақола20136 иқтибос
    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

    Мақола20186 иқтибос
    ABI

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

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

    Мақола20145 иқтибос
    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

    Мақола20145 иқтибос
    ABI

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

    Ashiq Hussain Pandit, Nasreen Mazumdar, Sharif Ahmad

    Шарҳ мақола20194 иқтибос
    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

    Мақола20113 иқтибос
    ABI

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

    Marcus Elstner, Thomas Frauenheim, Sándor Suhai

    Мақола20033 иқтибос
    ABI

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

    Mohamed Mokhtar Hefny, Cédric Pattyn, Petr Lukeš +1

    Мақола20163 иқтибос
    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

    Мақола20173 иқтибос
    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

    Мақола20183 иқтибос
    ABI

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

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

    Мақола20072 иқтибос
    ABI

  21. Сарлавҳасиз

    Бошқа2 иқтибос
    ABI

  22. Periodate oxidation and macromolecular compaction of hyaluronan

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

    Мақола20132 иқтибос
    ABI

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

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

    Мақола20152 иқтибос
    ABI

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

    N. Khosravian, Annemie Bogaerts, Stijn Huygh +2

    Мақола20142 иқтибос
    ABI

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

    Yingying Li, Gary Friedman, Alex Fridman +1

    Мақола20142 иқтибос
    ABI