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Benchmarking the accuracy of structure-based binding affinity predictors on Spike-ACE2 deep mutational interaction set.

Proteins - 1 Apr 2024

Ozden Burcu, Şamiloğlu Eda, Özsan Atakan, Erguven Mehmet, Yükrük Can, Koşaca Mehdi, Oktayoğlu Melis, Menteş Muratcan, Arslan Nazmiye, Karakülah Gökhan, Barlas Ayşe Berçin, Savaş Büşra, Karaca Ezgi

Abstract excerpt

Since the start of COVID-19 pandemic, a huge effort has been devoted to understanding the Spike (SARS-CoV-2)-ACE2 recognition mechanism. To this end, two deep mutational scanning studies traced the impact of all possible mutations across receptor binding domain (RBD) of Spike and catalytic domain of human ACE2. By concentrating on the interface mutations of these experimental data, we benchmarked six commonly...

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PMID: 37991066
DOI: 10.1002/prot.26645

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ACE2

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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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