Using Atomic Charges to Describe the pKa of Carboxylic Acids
Author:
Affiliation:
1. Université de Lorraine, CNRS, LPCT, F-54000 Nancy, France
2. Department of Chemistry, Boğaziçi University, 34342 Bebek, Istanbul, Turkey
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c00059
Reference73 articles.
1. Empirical relationships between protein structure and carboxyl pKa values in proteins
2. Very fast empirical prediction and rationalization of protein pKa values
3. Structural Basis of Perturbed pKa Values of Catalytic Groups in Enzyme Active Sites
4. Protein Ionizable Groups: pK Values and Their Contribution to Protein Stability and Solubility
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