In this review, we outline the growing role that molecular dynamics simulation is able to play
as a design tool in drug delivery. We cover both the pharmaceutical and computational …

The control of the nanostructure and the addition of nanoparticles to polymers have led to
structural and functional property enhancements in a number of polymeric systems as a …

A nanocarrier drug delivery system, effectively assisting to improve the solubility,
bioavailability, and targeting of drugs in the human body, is a crucial means for treating …

Drug delivery to solid tumour involves multiple physiological, biochemical and biophysical
processes taking place across a wide range of length and time scales. The therapeutic …

Dissipative particle dynamics simulations were performed to study the microstructures of
doxorubicin (DOX) loaded/blank micelles self-assembled from cholesterol conjugated …

Paclitaxel-loaded poly (ethylene oxide)-b-poly (lactide)(PEO-b-PLA) systems have been
observed to assemble into fiber structures with remarkably different properties using different …

Drug distribution in polymer dissolvable microneedles (MNs) is essential for enhancing the
efficiency of drug delivery. In the present work, multiscale simulation was applied to study …

In order to better understand and improve the drug loading capacity and release behavior of
the pH-responsive mixed micelles in well controlled pH environments, dissipative particle …

In this work, dissipative particle dynamics (DPD) simulations were performed to study the
self-assembled microstructures and doxorubicin (DOX) loading/release properties of pH …

The hydrogel formed by the directed self-assembled rhein molecules at an appropriate pH
value for sustained drug release has been reported recently. Although the application in …