A deep-learning reactive force field from Beijing-based MoleculeMind has become the first AI platform peer-reviewed for simulating an enzyme's complete catalytic cycle — including proton transfer, ...

Enzymes are often described as molecular machines that recognize and process specific molecules. However, they are not rigid structures. Their shapes can change, affecting how molecules enter, ...

An artist’s depiction of an artificially evolved enzyme breaking a silicon-carbon bond. [Caltech/Dow] For the first time, scientists have engineered an enzyme that can break the stubborn man-made ...

Generating drug candidates with AI has advanced rapidly. Generative models can now design protein backbones, propose binding molecules, and optimize sequences for target properties at speeds no human ...