Computer technology for the realistic calculation of properties of enzyme systems

Traditional pencil-and-paper analyses of enzyme kinetic experiments assume so much simplification that the results have limited biological significance. Althouqh performing initial velocity experiments with negligibly low enzyme concentrations in the presence of single inhibitors facilitates interpretation, there are a number of enzymes for which this method fails completely. Software has been developed for the economical simulation of enzyme behavior under realistic conditions. Enzyme activity is computed as a function of either time or concentration by solution of either differential or algebraic equations with any desired ratio of enzyme/substrate concentrations. Simulation of experiments with hexo-kinase from mouse ascites cells has permitted resolution of some apparently contradictory results and indicated guidelines for assuring reliability of data. Applications of lab. analyzers to improve interpretation of experiments and perhaps actually perform them are discussed.