Sequence Dependence of Amyloid Fibril Formation: Insights from Molecular Dynamics Simulations

Molecular dynamics with coupling to an external bath

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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 · 16.6K citations

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The missing term in effective pair potentials

Herman J. C. Berendsen, J. Raúl Grigera, Tjerk P. Straatsma · The Journal of Physical Chemistry · 1987 · 13.1K citations

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Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models

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Peptide Folding: When Simulation Meets Experiment

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