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• W2006065144 abstract "The computational determination of preferred binding regions of divalent counterions to nucleic acids is either inaccurate (standard Poisson-Boltzmann approaches) or extremely time-consuming (Monte Carlo or molecular dynamics simulations). A novel “selective low-temperature” Poisson-Boltzmann method is introduced that, although approximate in nature, qualitatively accounts for ion correlation and charge-transfer effects and allows for the rapid determination of such regions through an “induced coalescence” of divalent ions. The method is illustrated here for the binding of Mg2+ to a double-helical sequence of B-form DNA (CGCGAATTCGCG) but the technique is readily applicable to locating divalent cations in other systems such as DNA-endonuclease complexes and ribozymes." @default.
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• W2006065144 date "2004-08-01" @default.
• W2006065144 modified "2023-10-14" @default.
• W2006065144 title "Induced Coalescence of Cations through Low-Temperature Poisson-Boltzmann Calculations" @default.
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• W2006065144 doi "https://doi.org/10.1529/biophysj.104.040220" @default.
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