Analytical relationships estimate mobility and effective mass of polarons in discrete modeling of DNA fragments, highlighting their dynamics.
In a number of works, polaron modeling is carried out with parameter values that accelerate the dynamics of the system. Earlier, analytical relationships of polaron characteristics were derived for the continuum model. The results of direct modeling in discrete chains with large-radius polaron parameters show good agreement with the analytics. Thus, using the obtained model values, it is possible to estimate the mobility and effective mass of the polaron for a wide range of parameters, including those corresponding to polyT DNA fragments.
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Fialko et al. (2026) studied this question.
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