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. 2020 Jun 4:1–11. doi: 10.1080/07391102.2020.1773318

Table 3.

Number of hydrogen bonds maintained by ACE2 receptor - nCoV S-protein RBD complex during dynamic simulations intervals and its RMSD values.

Time Step (ns) No. of Hbonds RMSD (Å)
ACE2 receptor nCoV S protein RBD
10.00 10.00 3.54 2.56
20.00 16.00 3.48 2.51
30.00 11.00 3.30 2.33
40.00 10.00 3.39 2.56
50.00 8.00 3.20 2.63
60.00 11.00 3.30 2.57
70.00 10.00 3.20 2.73
80.00 10.00 3.03 2.64
90.00 11.00 3.09 2.65
100.00 12.00 3.17 2.65