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. Author manuscript; available in PMC: 2021 May 24.
Published in final edited form as: J Mol Model. 2020 May 24;26(6):152. doi: 10.1007/s00894-020-04399-0

Figure 1.

Figure 1.

Water interaction energy surfaces as a function of distance from the QM and Drude models with dimethylphosphate (DMP). Distances are between the hydrogen (H) on the water model and the respective model compound oxygens as shown. Comprehensive interaction energy figures are included in the supplement Figure S111. Images rendered using PyMol.[75]