DynaPharm^® templates are virtual constructs of active sites of proteins derived from dynamic simulations of the changes in flexible protein shape (essentially "molecular movies") that predict the 3D molecular characteristics of likely drug leads. DynaPharm^® templates are used to computationally screen and select active molecules from SBI's CombiLib^® database (a virtual library of millions of drug-like small-molecule 3D structures) or from any other compound collection. This process yields typical "hit rates" of 10% in marked contrast to 0.01% to 0.001% hit rates for typical high-throughput screening, a 1,000- to 10,000-fold reduction in the number of compounds needed to be acquired or synthesized and tested.