Binding affinity of polyP estimated using different charge calculation methods for the PPK3 β subunit.
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The PM6 semi-empirical charge calculation method and Gasteiger partial charges showed a similar positive result for the β subunit. Percentages in brackets indicated estimated energy relative to total values from 100 different runsBinding affinity of polyP estimated using different charge calculation methods for the PPK3 β subunit.
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2015-12-03
