Concepedia

Modeling the Hydration Layer around Proteins: HyPred

Jouko Virtanen, Lee Makowski, Tobin R. Sosnick, Karl F. Freed

Biophysical Journal · 2010 · 66 citations · 34 references

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References

34

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

Scalable molecular dynamics with NAMD

J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text

, , +17

All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

Alexander D. MacKerell, Donald Bashford, M. Bellott et al. · The Journal of Physical Chemistry B · 1998 · 14.5K citations

, , +17

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

Solvation energy in protein folding and binding

David Eisenberg, Andrew D. McLachlan · Nature · 1986 · 1.9K citations

, , +14