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. 2019 Jul 2;8:e45068. doi: 10.7554/eLife.45068

Table 6. Summary of molecular dynamics simulations.

Liganded
state simulated		 PDB ID of
starting
structure		 Number of
protein atoms		 Number of
water atoms		 Simulation time Number of
replicas
PKM2apo 3BJT 20104 263384 400 ns 5
PKM2FBP 3U2Z 20122 261594 420 ns 5