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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 · 30.3K citations · Full text

Vibronic Interaction, Thermodynamic Modelling, Engineering +13

Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical features

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Cluster Computing, Engineering, Molecular Biology +23

GROMACS: A message-passing parallel molecular dynamics implementation

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