Inorganic nanoparticles are excellent tools to create smart bioinorganic nanodevices for drug delivery, targeting and imaging. To investigate these complex systems, we use multiscale approaches ranging from first-principles calculations to atomistic molecular dynamics simulations, metadynamics, umbrella sampling and machine learning.
Di Valentin, C. (2023). Computational modeling of complex nanosystems for drug delivery, targeting and imaging. In 2023 IEEE Nanotechnology Materials and Devices Conference, NMDC 2023 (pp.574-575). IEEE [10.1109/NMDC57951.2023.10344218].
Computational modeling of complex nanosystems for drug delivery, targeting and imaging
Di Valentin, C
2023
Abstract
Inorganic nanoparticles are excellent tools to create smart bioinorganic nanodevices for drug delivery, targeting and imaging. To investigate these complex systems, we use multiscale approaches ranging from first-principles calculations to atomistic molecular dynamics simulations, metadynamics, umbrella sampling and machine learning.
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