and thermodynamics (∆G) of molecular processes, most especially receptor-ligand binding and unbinding . The SEEKR2 program has been validated to accurately compute the kinetic and thermodynamic properties of receptor-ligand (un)binding processes in model host-guest systems and the trypsin-benzamidine complex . In addition, SEEKR2 has demonstrated the ability to successfully predict the residence times of more complex receptor-ligand systems with extended drug-target residence times, such as the Janus kinase 2 (JAK2) and JAK3 inhibitors, and rank-order them in accordance with their respective residence times .