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Long range Debye-Hückel correction for computation of grid-based electrostatic forces between biomacromolecules.

Paolo MereghettiMichael MartinezRebecca C Wade
Published in: BMC biophysics (2014)
An advantage of this method is the low additional computational cost required to treat long-range electrostatic interactions in large biomacromolecular systems. Moreover, the implementation described here for BD simulations of protein solutions can also be applied in implicit solvent molecular dynamics simulations that make use of gridded interaction potentials.
Keyphrases
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