Investigating Scaling Effects on Virus Capsid-Like Self-Assembly Using Discrete Event Simulations

作者: Tiequan Zhang , Woo Tae Kim , Russell Schwartz

DOI: 10.1109/TNB.2007.903484

关键词: Face (geometry)Range (mathematics)Stochastic simulationSet (psychology)Event (computing)Sensitivity (control systems)ScalingComputer scienceDiscrete event simulationSimulationBiological system

摘要: As self-assembled nanotechnology tackles increasingly complicated structures, biological self-assembly can teach us a great deal about the challenges of more self-assemblies relative to simpler systems accessible in current practice. The present study uses computer simulations spherical assemblies inspired by virus capsids understand artificial will face as they approach levels complexity. We quantify system complexity two parameters-the total size completed structure assembly monomers and first stable nucleus. Simulations on set five model capturing range values for both parameters reveal several obstacles extrapolating experience with simple complex ones. Assemblies greater result yields fidelities that are substantially sensitive intersubunit binding rates concentrations than those assemblies. Larger nuclei partially mitigate these effects. Conversely, large have overall reduced sensitivity parameters, feature is also only partly mitigated nuclei. These changes be understood theoretical models based nucleation processes, but such theory itself becomes less informative larger systems. close consideration mechanisms which may overcome actual viral

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