Published February 10, 2022
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Molecular Dynamics of Omicron-RBD and hACE2 performed with NAMD at 37 degrees Celsius
Description
Molecular Dynamics of Omicron-RBD and hACE2 performed with NAMD at 37 degrees Celsius. The PDB used is 7T9K for an MD of 9 nanoseconds. Amino acids side chains are in yellow which are the 11 amino acids specific to the Omicron variant mapped to the interface with hACE2 receptor. The mutations in Omicron make this variant to bind better to the hACE2 receptor and to evade most previous immunity including vaccines. Visualization in UCSF Chimera.
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Omicron MD.mp4
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