Concepedia

Structure refinement with molecular dynamics and a Boltzmann-weighted ensemble

Jens Fennen, Andrew E. Torda, Wilfred F. van Gunsteren

Journal of Biomolecular NMR · 1995 · 66 citations · 15 references

DOI

Concepts

References

15

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 Leap-frog Algorithm for Stochastic Dynamics

Wilfred F. van Gunsteren, H. J. C. Berendsen · Molecular Simulation · 1988 · 1.5K citations

, , +11

Dipolar relaxation and nuclear Overhauser effects in nonrigid molecules: The effect of fluctuating internuclear distances

James Tropp · The Journal of Chemical Physics · 1980 · 345 citations

, , +15

Time-averaged nuclear overhauser effect distance restraints applied to tendamistat

Andrew E. Torda, Ruud M. Scheek, Wilfred F. van Gunsteren · Journal of Molecular Biology · 1990 · 283 citations

, , +2

Time-dependent distance restraints in molecular dynamics simulations

Andrew E. Torda, Ruud M. Scheek, Wilfred F. van Gunsteren · Chemical Physics Letters · 1989 · 271 citations

, , +10