Figure 3.
Representative snapshots taken at the end of the MD trajectories for fondaparinux (A), enoxaparin (B), UFH (C), and the stoichiometric complexes DGL G2:fondaparinux (D), DGL G2:enoxaparin (E), DGL G2:UFH (F), protamine:fondaparinux (G), protamine:enoxaparin (H), and protamine:UFH (I). Heparins are represented as balls, and antidotes as sticks. For the full set of computed complexes, see the Supporting Information.