Prediction of the pKa values of titratable residues.
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Here, we present our calculations of the protonation coordinate i, partial charge, and deprotonated fraction Si of residue i, i = 1 for Asp6, i = 2 for Glu10, i = 3 for Asp11, i = 4 for Glu15, i = 5 for Asp16, and i = 6 for His26. (ZIP)
创建时间：
2026-03-12
