Article

Fragment Molecular Orbital Based Interaction Analyses on Complexes Between RBD Variants and ACE2

2021-03-30

Abstract excerpt

The spike protein plays an important role in the infection of SARS-CoV-2 to human cells, and the binding affinity of receptor binding domain (RBD) to angiotensin-converting enzyme 2 (ACE2) is of special interest. In this report, we present a series of interaction analyses for the RBD - ACE2 complex (PDB ID: 6M0J) and mutated complexes of UK (B.1.1.7 lineage), South Africa (B1.351) and Brazil (B1.1.248) types, base...

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Literature Corpus work: 0a0b38b4-73fb-5359-9a47-ac9f3a5cd782
DOI: 10.26434/chemrxiv.14318459.v2

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