In a study published in Nature Communications, researchers at the University of Wisconsin–Madison introduced a deep learning method capable of automatically identifying transition states in protein ...

A computational method for finding transition states in chemical reactions, greatly reducing computational costs with high reliability, has been devised. Compared to the most widely used existing ...

Conceptual illustration of transition state searches. Points along the reaction path (often called images, metaphorically represented by person) are incrementally updated to find a transition state ...