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. 2020 May 13;8:328. doi: 10.3389/fbioe.2020.00328

TABLE 6.

Docking results.

Protein Target Binding site Global energy
RAGE S100A8 Arg A 114 → Gln H44 –25.75
RAGE GRE Arg B 203 → U14, Arg B 228 → G17 –24.38
S100A8 GRE Asn D 61 → C6, Ala B 1 → U13 –22.11
RAGE Aptamer • Try B 118 → A13, Arg B 216 → A13 –46.33
• Arg B 218 → G10, Asn B 25 → U16
• Gln B 24 → U16
S100A8 Aptamer • Lys B 36 → U9, Lys F 48 → U17 –45.32
• Ser H 86 → A13, Asp C 32 → G10
• Lys B 18 → G10, Lys B 21 → G10