one useful piece of information involves the reaction's transition state—the point of no return from which a reaction must proceed. This information allows chemists to try to produce the right ...

There is some confusion in the literature regarding the uniqueness and broadness of the transition state. The nature of the folding reaction dictates that at the rate limiting step the protein ...

When chemists design new chemical reactions, one useful piece of information involves the reaction's transition state—the point of no return from which a reaction must proceed.

Researchers developed a machine-learning model that can predict the structures of transition states of chemical reactions in less than a second, with high accuracy. Their model could make it easier ...