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. 2024 Sep 2;14(38):27935–27947. doi: 10.1039/d4ra04728a

Scores of hydrazone (HQ) with 229E, IBV, MERS, and SARS viruses.

Structure Virus S rmsd_refine E_conf E_place E_score1 E_refine E_score2
graphic file with name d4ra04728a-u5.jpg 229E −20.42 2.83 118.66 −50.81 10.86 22.03 −21.96
graphic file with name d4ra04728a-u6.jpg IBV −17.23 2.54 121.39 −71.67 −21.39 −13.92 −17.23
graphic file with name d4ra04728a-u7.jpg MERS −22.09 2.91 120.56 −70.54 −24.94 −19.34 −22.09
graphic file with name d4ra04728a-u8.jpg SARS −26.53 2.35 119.87 −76.67 −27.98 −37.84 −26.53