WHAT IS SIMULATION? Computer simulation is the discipline of designing a model of an actual or theoretical physical system, executing the model on a digital computer, and analyzing the execution output.
Efficacy is defined as the maximum effect a drug can produce, regardless of the dose. Potency is related to the amount of drug needed to produce a given effect; it is often quantified by the ED50 or EC50, which are respectively the drug dose or concentration that causes 50% of the maximum effect. Affinity is defined as a drug's ability to bind to a receptor.
A medicinal enzyme inhibitor is often judged by its specificity (its lack of binding to other proteins) and its potency (its dissociation constant, which indicates the concentration needed to inhibit the enzyme). A high specificity and potency ensure that a drug will have few side effects and thus low toxicity.