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. 2021 Jul 8;27(8):221. doi: 10.1007/s00894-021-04833-x

Table 1.

Set of CVs used to describe the residence time, kinetics, and unbinding process of luteolin

CV Description
CV1 Heavy atoms distances between ligand and residue
CV2 Protein-protein separation distance
CV3 Center of mass (COM) distance between ligand and interface residues
CV4 Coordination number defined in Eq. 11