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. 2018 Jul 3;24(8):191. doi: 10.1007/s00894-018-3689-5

Table 1.

MD simulation types and their abbreviations used in the text

Simulated system Abbreviation Average RMSD [Å] Average RG [Å]
Wild-type ribosome fragment with clindamycin WT–CLY-1 2.18 ± 0.03 28.88 ± 0.04
WT–CLY-2 2.16 ± 0.03 28.86 ± 0.04
WT–CLY-3 2.19 ± 0.03 28.91 ± 0.03
WT–CLY-4 2.26 ± 0.04 28.88 ± 0.04
A2058G mutated ribosome fragment with clindamycin MUT–CLY-1 3.01 ± 0.04 29.40 ± 0.04
MUT–CLY-2 3.05 ± 0.04 29.40 ± 0.03
MUT–CLY-3 3.02 ± 0.03 29.40 ± 0.03
Wild-type ribosome fragment WT-1 2.51 ± 0.04 29.12 ± 0.04
WT-2 2.49 ± 0.07 29.15 ± 0.03
WT-3 2.49 ± 0.05 29.26 ± 0.04
A2058G mutated ribosome fragment MUT-1 2.64 ± 0.05 29.05 ± 0.03
MUT-2 2.59 ± 0.06 29.00 ± 0.03
MUT-3 2.63 ± 0.05 29.00 ± 0.03

The average RMSD values (from the production trajectory but relative to the starting structure) and average RG values (both with standard deviation) are calculated for the Cα and P atoms. The simulated system is shown in Fig. S1