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. Author manuscript; available in PMC: 2020 Feb 6.
Published in final edited form as: J Am Chem Soc. 2019 Jan 24;141(5):1998–2011. doi: 10.1021/jacs.8b10990

Table 2.

The root-mean squared error of the backbone and side-chain.

Simulation RMSE of backbone RMSE of side-chains
SNa15-HAP 2.17 1.59
SNa15-SiO2 2.25 1.75
SNa15-TiO2 1.91 1.48