Sodium binding modes in AT1 and AT2 receptors

Published: 5 January 2022| Version 1 | DOI: 10.17632/y6sh9yfyjt.1
Contributor:
Marie Chabbert

Description

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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Molecular Dynamics

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