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 ...

Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...

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 ...

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, ...