The interaction of sodium dodecyl sulfate with trypsin: Multi-spectroscopic analysis, molecular docking, and molecular dynamics simulation

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

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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

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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

Natural Sciences, Chemistry, Physics +14

Thermodynamics of protein association reactions: forces contributing to stability

Philip D. Ross, Sankaran Subramanian · Biochemistry · 1981 · 5.5K citations

Natural Sciences, Biochemistry, Biophysics +15

DICHROWEB, an online server for protein secondary structure analyses from circular dichroism spectroscopic data

Lee Whitmore, B.A. Wallace · Nucleic Acids Research · 2004 · 2.4K citations · Full text

Natural Sciences, Biochemistry, Chemistry +17