For example, the Poda-Hoffer team (workflow 1448 -WF1448), adopted a conservative, purely physics-based but well-established screening pipeline where Glide (Schrodinger, New York, Inc.) was used to screen a large and diverse library, with pharmacophoric constraints, against a conformational ensemble extracted from fragment-bound Nsp13 crystal structures in the PDB, along with a few conformationally refined snapshots from quick molecular dynamics simulations. The output was refined with another scoring function (HYDE, BioSolveIT) after considering crystallographic water molecules from the system. Both computational and medicinal chemists visually inspected the top-scoring molecules to finalize the selection.