Article

Bond strength between receptor binding domain of spike protein and human angiotensin converting enzyme-2 using machine learning

2024-04-18

Abstract excerpt

The spike protein (S-protein) of SARS-CoV-2 plays an important role in binding, fusion, and host entry. In this study, we have predicted interatomic bond strength between receptor binding domain (RBD) and angiotensin converting enzyme-2 (ACE2) using machine learning (ML), that matches with expensive ab initio calculation result. We collected bond order result from ab initio calculations. We selected a total of 1...

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Literature Corpus work: f96510a0-5fda-5f41-b068-7377c26f0df3
DOI: 10.1101/2024.04.16.589808

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