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Lipid Receptor S1P₁ Activation Scheme Concluded from Microsecond All-Atom Molecular Dynamics Simulations

Figure 3

Water molecules in vicinity of residue D91^2.50 in agonist-bound receptor during MD simulation.

(A) 0 ns; (B) 100 ns; (C) 700 ns. Only water molecules within 4 Å of residue D91^2.50 are shown.

doi: https://doi.org/10.1371/journal.pcbi.1003261.g003