A rapid computer technique for analysing molecular interactions

A rapid method for analysing enzyme — substrate interactionsusing a discriminant analysis program is described. This technqueidentifies the structural features of substrate molecules whichare important in determining metabolic activity. Two model systems,nucleoside diphosphatase activity of Golgi membranes and theinteraction of yeast hexokinase with a range of D-sugars, areused as illustrations of the technique. The conclusions fromboth models are consistent with those previously obtained fromanalytical techniques. Received on January 21, 1986; accepted on April 1, 1986