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Hydrogen atoms were first added at a simulated pH of 7.0 by means of the pdb2pqr 60 and propka 61 software, and the protonation of titratable side chains was checked by visual inspection
Presented for research literature review only Kim SH et al
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doi: 10.1016/j.jep.2022.115324 18 TanYYYueSRLuAPZhangLJiGLiuBCet al
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