We dedicate this work to the memory of Jörg Keldenich: experimentalist and pioneer for PK/PD and ADME/Tox modelling at Bayer. Metabolism is a signature of living systems, and enables organisms to ...

One person's side effect could be another person's treatment if we expand our perspective on small molecule drug targets, ...

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 ...

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, ...