Concepedia

Molecular dynamics simulations of water and biomolecules with a Monte Carlo constant pressure algorithm

Johan Åqvist, Petra Wennerström, Martin Nervall, Sinisa Bjelic, Bjørn Olav Brandsdal

Chemical Physics Letters · 2003 · 597 citations · 21 references

DOI

Concepts

References

21

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

, , +17

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text

, , +17

Computer Simulation of Liquids

S. P, K. J · Journal of Molecular Liquids · 1988 · 15.9K citations

, , +12

Molecular dynamics simulations at constant pressure and/or temperature

Hans Christian Andersen · The Journal of Chemical Physics · 1980 · 5.7K citations

, , +7

A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

Michael W. Mahoney, William L. Jorgensen · The Journal of Chemical Physics · 2000 · 2.3K citations

, , +17