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Article

Molecular simulation of SARS-CoV-2 spike protein binding to pangolin ACE2 or human ACE2 natural variants reveals altered susceptibility to infection.

The Journal of general virology - 1 Sept 2020

Wang Jingfang, Xu Xintian, Zhou Xinbo, Chen Ping, Liang Huiying, Li Xuan, Zhong Wu, Hao Pei

Abstract excerpt

We constructed complex models of SARS-CoV-2 spike protein binding to pangolin or human ACE2, the receptor for virus transmission, and estimated the binding free energy changes using molecular dynamics simulation. SARS-CoV-2 can bind to both pangolin and human ACE2, but has a significantly lower binding affinity for pangolin ACE2 due to the increased binding free energy (9.5 kcal mol-1). Human ACE2 is among the...

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Source

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Identifiers

PMID: 32538738
DOI: 10.1099/jgv.0.001452
PMCID: PMC7654750

Genes

ACE2

Variants

rs961360700

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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