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 …

Nanoscience and nanotechnology are the most widely utilized field of science in human
healthcare, tissue engineering, food and agriculture. It has several advantages, such as …

The development of an intelligent biomaterial system that can efficiently accumulate at the
tumor site and release a drug in a controlled way is very important for cancer chemotherapy …

In this work, we employ coarse-grained dissipative particle dynamics simulations with the
hydrogen bonds added explicitly to study the drug encapsulation property, structure, and …

Targeted drug delivery has become one of the key fields of personalized medicine.
Developing candidate drug delivery agents requires a thorough understanding of the drug …

Polymer microgels with a dense outer shell offer outstanding features as universal carriers
for different guest molecules. In this paper, microgels formed by an interpenetrating network …

Star-shaped polymers have received significant attention and have been widely developed
for prospective applications in drug delivery owing to their topological structure and unique …

The formation of block copolymer micelles with and without hydrophobic nanoparticles is
simulated using dissipative particle dynamics. We use the model developed by Spaeth et …

Glipizide; an insulin secretagogue belonging to the sulfonylurea class, is a widely used
antidiabetic drug for managing type 2 diabetes. However, the need for life-long …

The self-assembly of miktoarm star polymers μ-Ai (B (D)) jCk in a neutral solution and the pH-
responsive behaviors of vesicles and spherical micelles in an acidic solution have been …