Improving the Continuum Dielectric Approach to Calculating pKas of Ionizable Groups in Proteins

作者: Eugene Demchuk , Rebecca C. Wade

DOI: 10.1021/JP960111D

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摘要: The pH-dependent characteristics of a protein are determined by the pK a s of its titratable residues. Continuum electrostatic approaches provide a fast means of calculating the pK a s …

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