Concepedia

Prediction of Reduction Potential Changes in Rubredoxin: A Molecular Mechanics Approach

Can E. Ergenekan, Dustin Thomas, Justin T. Fischer, Ming‐Liang Tan, Marly K. Eidsness, ChulHee Kang, Toshiko Ichiye

Biophysical Journal · 2003 · 27 citations · 27 references

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References

27

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

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MOLSCRIPT: a program to produce both detailed and schematic plots of protein structures

P. Kraulis · Journal of Applied Crystallography · 1991 · 14.1K citations · Full text

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The interpretation of protein structures: Estimation of static accessibility

B. Lee, F.M. Richards · Journal of Molecular Biology · 1971 · 5.9K citations

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