Concepedia

How amantadine and rimantadine inhibit proton transport in the M2 protein channel

Pathumwadee Intharathep, Chittima Laohpongspaisan, Thanyada Rungrotmongkol, Arthorn Loisruangsin, Maturos Malaisree, Panita Decha, Ornjira Aruksakunwong, Krit Chuenpennit, Nopphorn Kaiyawet, Pornthep Sompornpisut,

Journal of Molecular Graphics and Modelling · 2008 · 78 citations · 39 references

DOI

Concepts

References

39

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

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Tom Darden, Darrin M. York, Lee G. Pedersen · The Journal of Chemical Physics · 1993 · 30.7K citations · Full text

, , +13

LINCS: A linear constraint solver for molecular simulations

Berk Hess, Henk Bekker, Herman J. C. Berendsen et al. · Journal of Computational Chemistry · 1997 · 17.1K citations

, , +14

Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.8K citations

, , +17

GROMACS 3.0: a package for molecular simulation and trajectory analysis

Erik Lindahl, Berk Hess, David van der Spoel · Journal of Molecular Modeling · 2001 · 7K citations

, , +12