APBS Tutorial | ||
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Ion condensation to DNA is an excellent example of non-specific interactions of cations with polyelectrolytes. In this example we demonstrate NaCl condensation to a B-DNA dodecamer.
The starting structure was a 35 base-pair DNA molecule with a net charge of -70 e. The PQR file for this system is available for download here and shown in the following figure:
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Binding energy calculation | Calculating the potential and charge density |