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. 2019 Mar 8;8(1):354–365. doi: 10.1080/22221751.2019.1584018

Table 4. Binding energy and hydrogen bonds of viral RT to ETV-TP.

HBV strains Binding energy (ΔG: kcal/mol) N–H:O bonds O–H:O bonds pi-cation interactions
wild-type −5.26 2 1 1
rtL180M+M204V −4.97 0 2 0
rtL180M+A181C+M204V −4.56 3 0 0
rtL180M+A181C+S202G+M204V −4.37 2 0 0
rtL180M+A181C+M204V+M250V −4.37 2 0 0

Note: RT: reverse transcriptase; ETV-TP: entecavir triphosphate.