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. 2019 Jul 9;6:47. doi: 10.3389/fmolb.2019.00047

Figure 2.

Figure 2

The RMSD distribution of molecular dynamics simulations of TEM-1 in (A) apo state, and binding with benzyl penicillin in (B) reactant and (C) product states. In each state, the RMSD are calculated in five independent 100 ns simulations labeled as set 1 to set 5.