The more significant computational expense is not the docking itself, but rather the creation of the QM-based conformational database. Specifically, this involves performing ab initio DFT calculations with a high-quality functional and basis set for every conformation of every ligand. These calculations are essential for obtaining the final accurate orders of the conformations along with their precise DFT-D4 total energies and strain energies. One of the flagship products of my company, QuantumFuture Scientific, is an extremely fast DFT program that I developed over the last few years. This new program builds on methodological advancements made about two decades ago ; however, with two decades of additional experience and insight, both the quality and performance of this new DFT code are several classes above the developmental code we were working on in an academic environment back then. This new DFT program is used for this task within the QFConfsearchDFT application. The details of all QF applications are described in ,