Their delivery power awakens
In a recent combined experimental and computational study, it was shown that ReaxFF can realistically describe functonalized gold nanoparticles to understand and predict antibiotic release. This proves great promise for simulations to aid the further development of controlled nanoparticle delivery of in situ drug release.
Do you want try for yourself? Request a free 30-day evaluation for the whole Amsterdam Modeling Suite.
Newsletter: tips & tricks, highlights, events
Would you like to keep up to date with the latest developments in the Amsterdam Modeling Suite and the SCM team, learn more about new applications and functionality?
Subscribe to our newsletter!
You have already subscribed. Thank you! If you don't receive our newsletters, send us an email.
S. Monti, J. Jose, A. Sahajan, N. Kalarikkal, and S. Thomas, Structure and dynamics of gold nanoparticles decorated with chitosan–gentamicin conjugates: ReaxFF molecular dynamics simulations to disclose drug delivery, Phys. Chem. Chem. Phys. (2019)Key conceptsnanoscience pharma ReaxFF