分子动力学
Behavior of nanomaterials are dominated by long ranged non-bonding interactions. Electrochemical processes that occur throughout the brain generate an electric field which can inadvertently affect the behavior of some nanomaterials. Molecular dynamics simulations can mitigate the development phase of nanomaterials as well as prevent neural toxicity of nanomaterials following in vivo clinical trials. Testing nanomaterials using molecular dynamics optimizes nano characteristics for therapeutic purposes by testing different environment conditions, nanomaterial shape fabrications, nanomaterial surface properties, etc. without the need for in vivo experimentation. Flexibility in molecular dynamic simulations allows medical practitioners to personalize treatment. Nanoparticle related data from translational nanoinformatics links neurological patient specific data to predict treatment response.