Reactive Molecular Dynamics Simulations for a Better Insight in Plasma Medicine
Annemie BogaertsResearch Group PLASMANT, Department of Chemistry University of Antwerp Universiteitsplein 1 B‐2610 Wilrijk‐Antwerp BelgiumMaksudbek YusupovResearch Group PLASMANT, Department of Chemistry University of Antwerp Universiteitsplein 1 B‐2610 Wilrijk‐Antwerp BelgiumJonas Van der PaalResearch Group PLASMANT, Department of Chemistry University of Antwerp Universiteitsplein 1 B‐2610 Wilrijk‐Antwerp BelgiumChristof VerlacktResearch Group PLASMANT, Department of Chemistry University of Antwerp Universiteitsplein 1 B‐2610 Wilrijk‐Antwerp BelgiumErik C. NeytsResearch Group PLASMANT, Department of Chemistry University of Antwerp Universiteitsplein 1 B‐2610 Wilrijk‐Antwerp Belgium
2014en
ABI
Аннотация
Abstract In this review paper, we present several examples of reactive molecular dynamics simulations, which contribute to a better understanding of the underlying mechanisms in plasma medicine on the atomic scale. This includes the interaction of important reactive oxygen plasma species with the outer cell wall of both gram‐positive and gram‐negative bacteria, and with lipids present in human skin. Moreover, as most biomolecules are surrounded by a liquid biofilm, the behavior of these plasma species in a liquid (water) layer is presented as well. Finally, a perspective for future atomic scale modeling studies is given, in the field of plasma medicine in general, and for cancer treatment in particular.
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