Protein targets in SARS-CoV-2, protein crystallography, how docking programs work, SAnDReS: a computational tool for docking, electrostatic energy in protein–ligand complexes, Van der Waals potential in protein complexes, hydrogen bonds in protein-ligand complexes, molecular dynamics simulations with NAMD2, docking with AutoDock4, Molegro Virtual Docker for docking, docking with GemDock, docking with SwissDock, molecular docking simulations with ArgusLab, homology modeling of protein targets with MODELLER, machine learning to predict binding affinity, exploring the scoring function space, projects in drug design with computational approaches.