Graphical analysis of pH-dependent properties of proteins predicted using PROPKA |
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| Authors: | Michał Rostkowski Mats HM Olsson Chresten R Søndergaard Jan H Jensen |
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| Affiliation: | (1) Department of Chemistry, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen, Denmark |
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| Abstract: | Background Charge states of ionizable residues in proteins determine their pH-dependent properties through their pKa values. Thus, various theoretical methods to determine ionization constants of residues in biological systems have been developed. One of the more widely used approaches for predicting pKa values in proteins is the PROPKA program, which provides convenient structural rationalization of the predicted pKa values without any additional calculations. |
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