Precise calculations of binding free energy are pivotal in reducing the high costs and inefficiencies of drug discovery. A recent study presents PairMap, an innovative computational tool that ...

Drug discovery is a costly and time-intensive process, with binding free energy calculations between the potential drug molecule and the target being crucial for reducing drug discovery costs, ...

This study investigates the potential interaction of the antihyperlipidemic drug Bezafibrate with Pectin for drug delivery applications, using density functional theory (DFT) calculations. A detailed ...

Covalent organic frameworks (COFs) have attracted attention as novel nanocarriers for anticancer drug delivery due to their properties such as large surface area, tunable porosity, and customizable ...

Using an app to calculate fluid and drug volumes for severely ill kids was faster and less stressful than using a reference table. For calculating drug and fluid doses for sick and injured children ...