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Article

Multiscale Topological Indices for the Quantitative Prediction of SARS CoV-2 Binding Affinity Change upon Mutations.

Journal of chemical information and modeling - 10 Jul 2023

Bi Jialin, Wee JunJie, Liu Xiang, Qu Cunquan, Wang Guanghui, Xia Kelin

Abstract excerpt

The Coronavirus disease 2019 (COVID-19) has affected people's lives and the development of the global economy. Biologically, protein-protein interactions between SARS-CoV-2 surface spike (S) protein and human ACE2 protein are the key mechanism behind the COVID-19 disease. In this study, we provide insights into interactions between the SARS-CoV-2 S-protein and ACE2, and propose topological indices to...

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Identifiers

PMID: 37381769
DOI: 10.1021/acs.jcim.3c00621

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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