Concepedia

Flexibility and Conformational Entropy in Protein-Protein Binding

Raik Grünberg, Michaël Nilges, Johan Leckner

Structure · 2006 · 151 citations · 65 references

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Concepts

References

65

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

A smooth particle mesh Ewald method

Ulrich Essmann, L. Perera, Max L. Berkowitz et al. · The Journal of Chemical Physics · 1995 · 22.9K citations

, , +13

On the nature of allosteric transitions: A plausible model

Jacques Monod, Jeffries Wyman, Jean‐Pierre Changeux · Journal of Molecular Biology · 1965 · 8.9K citations

, , +10

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

, , +17