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. Author manuscript; available in PMC: 2021 Feb 15.
Published in final edited form as: J Chem Theory Comput. 2020 Oct 23;16(11):7173–7183. doi: 10.1021/acs.jctc.0c00798

Figure 6:

Figure 6:

(A1)-(A4) score-RMSD dependence for the four selected RNA-ligand complexes with PDB IDs 1NTA (A1), 2EES (A2), 2BEE (A3), and 3SUX (A4), respectively. (B1)-(B4) The structures of RNA-ligand complexes corresponding to the four cases in (A1)-(A4). The experimental ligands and the predicted ligands are depicted in blue and green. Yellow and purple balls represent the Ba2+ and Na+ ions observed in crystal structures.