pone.0257905.g004.tif (532.99 kB)

Fig 4 -

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posted on 2021-09-28, 17:37 authored by Van A. Ngo, Ramesh K. Jha

(A) Free-energy profiles computed from US simulations as function of R_RBD-ACE2 using C36-FF. (B) Three-dimension distributions of the stable pairs (refer Fig 2) as function of the biasing distance between the centers of mass of RBD2 and ACE2. (C) A snapshot during the Umbrella simulations using R_RBD-ACE2 = 70 Å. Residue A475 in RBD2 is located right behind F486.

Fig 4 -

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