The free energy difference between simple models of B- and Z-DNA: Computer simulation and

Montoro, J.C. Gil; Abascal, J.L.F.
May 1997
Journal of Chemical Physics;5/15/1997, Vol. 106 Issue 19, p8239
Academic Journal
Measures the free energy in the salt-induced B- to Z-DNA transition. Thermodynamic path for the computation of the free energy difference; Models and potential parameters; Calculation of the free energy terms; Simulation of the polyelectrolyte solutions; Setup term to the free energy obtained from the sum of the PMF; Evaluation of the charging term.


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