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 ...

The conclusion of this interview with Sanjay Konagurthu focuses on simulations and calculations that go beyond simple screening. He says this framework provides insights into a final dosage form, as ...

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 ...

The Centers for Medicare & Medicaid Services (CMS) has issued a final rule tweaking the rebate calculation formula in Medicaid for a category known as line extension drugs. The change in the rule (PDF ...