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Sodium binding modes in AT1 and AT2 receptors

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These data sets have been built to investigate the sodium binding modes of the angiotensin II receptors AT1 and AT2 from eels and humans. They include steady-state molecular dynamics simulations (MD_NA_BINDING), kinetics of sodium binding (MD_NA_KINETICS) and electrostatics calculations (DELPHI). Full description of the methods are given in the following article: "Evolutionary information helps understand distinctive features of the angiotensin II receptors AT1 and AT2 in amniota" Ben Boubaker et al. (2022) Plos Comput Biol.
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2022-01-05
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