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. Author manuscript; available in PMC: 2021 May 1.
Published in final edited form as: J Comput Aided Mol Des. 2020 Jan 20;34(5):543–560. doi: 10.1007/s10822-019-00267-z

Fig. 2:

Fig. 2:

Dependence of the density of dry and wet octanol on the temperature. Green squares are experimental data; blue triangles were computed from 100-ns MD simulations with dry octanol; orange diamonds were computed from 100-ns MD simulations with wet octanol