The ACE Program

Asymmetric Catalyst Evaluation

ACE is a tool to predict the stereochemical outcome of reactions.

This program models the transition state (TS) as a linear combination of reactants and products as defined by the Hammond postulate. ACE creates the TSs from reactants and products and carries out a conformational analysis using a genetic algorithm derived from our docking program FITTED.

More details about the ACE program can be found in the references.