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 ...

Antibody drug conjugates (ADCs) -- cancer drugs that are designed to target and destroy cancerous tissue while leaving healthy cells intact -- represent a long sought-after advancement in cancer ...

What makes kevlar stop a bullet, at the atomic level? The properties of materials emerge from their molecular or atomic structure, yet many details between the micro and the macro remain a mystery to ...

An experimental demonstration of a quantum calculation has shown that a single molecule can perform operations thousands of times faster than any conventional computer. An experimental demonstration ...

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, ...