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. 2022 May 22;36(4):263–277. doi: 10.1007/s10822-022-00443-8

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Fig. 7 — Statistical measurements ranked for all QM/MM submissions. Non-NIH method’s names were given as follows in the SAMPL Github (see [24]). S1: GFN2-xTB/MetaMD/GBSA/ensemble/Nobuffer, S2: GAFF-RESP/TIP3P/MD/xtb-GFN2B/Boltz-Avg, S3: GAFF-RESP/TIP3P/MD-Classical/xtb-GFN2B