Concepedia

Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study

Benoît Roux, Mafalda Nina, Régis Pomès, Jeremy C. Smith

Biophysical Journal · 1996 · 260 citations · 61 references

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References

61

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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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen · Journal of Computational Physics · 1977 · 21.5K citations

, , +11

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson et al. · Journal of Computational Chemistry · 1983 · 14.9K citations

, , +13

Electric Moments of Molecules in Liquids

Lars Onsager · Journal of the American Chemical Society · 1936 · 5.3K citations

, , +8

Statistical Mechanics of Fluid Mixtures

John G. Kirkwood · The Journal of Chemical Physics · 1935 · 3.5K citations

, , +16