Accurate potential energy models are necessary for reliable atomistic simulations of
chemical phenomena. In the realm of biomolecular modeling, large systems like proteins
comprise very many noncovalent interactions (NCIs) that can contribute to the protein's
stability and structure. This work presents two high-quality chemical databases of common
fragment interactions in biomolecular systems as extracted from high-resolution Protein
DataBank crystal structures: 3380 sidechain-sidechain interactions and 100 backbone …