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VX Hydrolysis by Human Serum Paraoxonase 1: A Comparison of Experimental and Computational Results

Figure 2

The transition state conformations for VX P(+) and VX P(−).

The structures were generated with the QM/MM capabilities of the AMBER molecular dynamics suite [21].

doi: https://doi.org/10.1371/journal.pone.0020335.g002