Thus, achieving accurate torsion profiles while avoiding the need for extensive torsion fitting is of great importance in FF parameterization. In this context, the performance of the GB-FFs parameterization is also evaluated on a highly accurate torsion scan database. It comprises 62 fragments with drug-like functional groups and their CCSD(T) /CBS single point energies calculated on optimized geometries using MP2 76,77 /6-311+G**. For each molecule of the 62 fragments, a specific dihedral angle is varied from -170 • to 170 • in increments of 10 • (the chosen dihedral angle for modification is indicated in SI 'Full results on Torsion Scan database'.