In chemical reactions, molecules transform from reactants into reaction products through a critical geometry called a transition state that lasts less than one millionth of one millionth of a second.

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 ...

Designing Transition-State Inhibitors A transition-state mimic has the power to bind an enzyme at its tipping point as strongly as any available inhibitor and more strongly than most, preventing ...