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. 2021 Sep 4;26(17):5379. doi: 10.3390/molecules26175379

Figure 4.

Figure 4

(A,B) are changes of hydrogen bond lengths in tetrad 1 during the MD simulation of K-GQ. (CF) are typical structures of tetrad 1 in experiment, and MD simulation with Drude, AMOEBA, and OL15, respectively. (A,B) share the same figure legend.