Concepedia

A combined molecular dynamics/density-functional theoretical study on the structure and electronic properties of hydrating water molecules in the minor groove of decameric DNA duplex

Takayuki Tsukamoto, Yasuyuki Ishikawa, Takayuki Natsume, Kenichi Dedachi, Noriyuki Kurita

Chemical Physics Letters · 2007 · 19 citations · 19 references

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References

19

Comparison of simple potential functions for simulating liquid water

William L. Jorgensen, Jayaraman Chandrasekhar, Jeffry D. Madura et al. · The Journal of Chemical Physics · 1983 · 42.1K citations

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An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

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Improved adsorption energetics within density-functional theory using revised Perdew-Burke-Ernzerhof functionals

Bjørk Hammer, L. B. Hansen, Jens K. Nørskov · Physical review. B, Condensed matter · 1999 · 8.2K citations · Full text

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How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules?

Junmei Wang, Piotr Cieplak, Peter A. Kollman · Journal of Computational Chemistry · 2000 · 4K citations

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Design and self-assembly of two-dimensional DNA crystals

Erik Winfree, Furong Liu, Lisa A. Wenzler et al. · Nature · 1998 · 2.9K citations

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