Prediction and Rationalization of Protein pKa Values Using QM and QM/MM Methods
Author:
Affiliation:
1. Department of Chemistry, Center for Biocatalysis and Bioprocessing, and Department of Biochemistry, University of Iowa, Iowa City, Iowa 52242
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp051922x
Reference100 articles.
1. Electrostatic basis of structure-function correlation in proteins
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3. Empirical relationships between protein structure and carboxyl pKa values in proteins
4. The Determinants of pKas in Proteins
5. Prediction of Ph-dependent Properties of Proteins
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