Concepedia

Constrained dynamics of flexible molecules

Wilfred F. van Gunsteren

Molecular Physics · 1980 · 144 citations · 19 references

DOI

Concepts

Abstract

(1980). Constrained dynamics of flexible molecules. Molecular Physics: Vol. 40, No. 4, pp. 1015-1019.

References

19

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

Dynamics of folded proteins

J. Andrew McCammon, Bruce R. Gelin, Martin Karplus · Nature · 1977 · 2K citations

, , +12

Algorithms for macromolecular dynamics and constraint dynamics

Wilfred F. van Gunsteren, Herman J. C. Berendsen · Molecular Physics · 1977 · 1.7K citations

, , +17

Molecular dynamics of liquid alkanes

Jean-Paul Ryckaert, Andr� Bellemans · Faraday Discussions of the Chemical Society · 1978 · 709 citations

, , +13

Molecular dynamics of liquid n-butane near its boiling point

Jean-Paul Ryckaert, A. Bellemans · Chemical Physics Letters · 1975 · 636 citations

, , +14