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Figure 6
(a) Dipole moments, (b) isotropic polarizabilities, (c) anisotropy of polarizability and (d) number of ions coordinated to the protein's backbone during the molecular dynamics simulation. Isotropic polarizability is defined as αiso = Tr(α)/3 and anisotropy of polarizability is given by the formula Δα = [\left ( {{1} \over {2}} \left \{ 3 \, {\rm Tr} (\alpha^{2}) - [{\rm Tr} (\alpha)] ^{2} \right \} \right )^{1/2}].

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 81| Part 2| April 2025|
https://doi.org/10.1107/S2052520625001088
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