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(a) Colvar distance defined with the ligand COM for WC1, WC2, filgotinib, JAK-198 and JAK-199 in JAK2 JH2. The dark pink spheres represent the center of mass of protein heavy atoms within 5 Å of the ligand and the light pink spheres represent the ligand center of mass. (b) The spread of ligand center of masses (cyan spheres) for the compounds considered here.
