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. Author manuscript; available in PMC: 2014 Nov 1.
Published in final edited form as: J Mol Model. 2013 Oct 2;19(11):5075–5087. doi: 10.1007/s00894-013-1990-x

Fig. 8.

Fig. 8

MD trajectory data (16 ns) showing that the phosphate moiety in the model acylphosphate 4 undergoes rotation during the simulation. Dihedral angles are labeled with the atom numbers shown in Fig. 3.