Video 1.

hASIC3 interactions with AA in CG simulation. AA molecules within 5 Å of the hASIC3 protein are shown. The protein is shown in cyan. The residues R65hASIC3, R68hASIC3, and R63hASIC3 are shown as purple VDW spheres. Interactions over 1 µs of simulation time (from 4–5 µs) are shown in one CG simulation repeat of hASIC3 in the open state. The movie illustrates approximately 0.75 ns/frame; played at a speed of ∼1 μs/min.


Multiscale molecular dynamics simulations predict arachidonic acid binding sites in human ASIC1a and ASIC3 transmembrane domains

Anna Ananchenko, and Maria Musgaard

DOI: 10.1085/jgp.202213259
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