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Basic Characteristics of Mutations
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Mutation Site
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N501Y |
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Mutation Site Sentence
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Among the five common RBD mutations, N501Y is particularly notable, as it appears in well-known variants such as Alpha. |
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Mutation Level
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Amino acid level |
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Mutation Type
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Nonsynonymous substitution |
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Gene/Protein/Region
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RBD |
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Standardized Encoding Gene
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S
|
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Genotype/Subtype
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Alpha;Beta;UK2;Gamma |
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Viral Reference
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-
|
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Functional Impact and Mechanisms
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Disease
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COVID-19
|
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Immune
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- |
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Target Gene
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-
|
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Clinical and Epidemiological Correlations
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Clinical Information
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- |
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Treatment
|
- |
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Location
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- |
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Literature Information
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PMID
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38995072
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|
Title
|
MuToN Quantifies Binding Affinity Changes upon Protein Mutations by Geometric Deep Learning
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Author
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Li P,Liu ZP
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Journal
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Advanced science (Weinheim, Baden-Wurttemberg, Germany)
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Journal Info
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2024 Sep;11(35):e2402918
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Abstract
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Assessing changes in protein-protein binding affinity due to mutations helps understanding a wide range of crucial biological processes within cells. Despite significant efforts to create accurate computational models, predicting how mutations affect affinity remains challenging due to the complexity of the biological mechanisms involved. In the present work, a geometric deep learning framework called MuToN is introduced for quantifying protein binding affinity change upon residue mutations. The method, designed with geometric attention networks, is mechanism-aware. It captures changes in the protein binding interfaces of mutated complexes and assesses the allosteric effects of amino acids. Experimental results highlight MuToN's superiority compared to existing methods. Additionally, MuToN's flexibility and effectiveness are illustrated by its precise predictions of binding affinity changes between SARS-CoV-2 variants and the ACE2 complex.
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Sequence Data
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-
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