Modelling flexible protein-ligand binding in p38α MAP kinase using the QUBE force field.The quantum mechanical bespoke (QUBE) force field is used to retrospectively calculate the relative binding free energies of a series of 17 flexible inhibitors of p38α MAP kinase. 
QUBE
Modelling flexible protein-ligand binding in p38α MAP kinase using the QUBE force field.The quantum mechanical bespoke (QUBE) force field is used to retrospectively calculate the relative binding free energies of a series of 17 flexible inhibitors of p38α MAP kinase. 
the QUBE force field