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Energy absorption of "free" radicals

10.3390/ijms19123740 Int

PLos One (2014) 9:e102798

While AOPs can conceptually link a molecular initiating event to an adverse outcome in an individual, predicting how this translates to population-level effects (e.g., reduced population viability) or community-level impacts (e.g., altered species composition or impaired ecosystem functions like primary productivity) requires a new generation of integrated ecological models that are still in their infancy for nanomaterials

Monitoring Rg during MD simulation can provide insights on conformational changes and allow the evaluation of the overall structural integrity and flexibility of macromolecular systems