Simple Summary Cancer is one of the leading causes of death globally. Several studies,
efforts and treatment strategies have been put forth for the treatment of different types of …

Background and objective: Doxorubicin (DOX) is a known anticancer drug which is widely
used in cancer therapy. Carbon nanotubes (CNTs) are among the most promising platforms …

Adsorption of the drug doxorubicin (DOX) onto covalent functionalized carbon nanotubes
(CNTs) as drug carriers was studied by employing molecular dynamics (MD) simulation …

In this work, molecular dynamics (MD) simulation is used to study the adsorption of the
anticancer drug, doxorubicin (DOX), on the wall or surface of pristine and functionalized …

Loading therapeutic agents on nanocarriers in order to protect them during drug delivery
and exclusively targeting damaged tissues has gained substantial significance in biology …

Integrating drugs into cellular membranes efficiently is a significant challenge in drug
delivery systems. This study aimed to overcome these barriers by utilizing mixed micelles to …

In this study, the effect of heat shock on the cell membrane was investigated using molecular
dynamics (MD) simulations. Specifically, we examined the structural and dynamic behavior …

As the water molecules found at the interface of lipid bilayers exhibit distinct structural and
reorientation dynamics compared to water molecules found in bulk, the fluctuations in their …

Since phospholipids are the most important components in the structure of biomembranes,
they deserve to be considered with a lot of attention in both experimental and computational …