Evidence map›Paper›PMID 38995072›Full record

ArticleAdvanced science (Weinheim, Baden-Wurttemberg, Germany)2024

MuToN Quantifies Binding Affinity Changes upon Protein Mutations by Geometric Deep Learning.

Pengpai Li, Zhi-Ping Liu

Abstract read
In one paragraph

Article in Advanced science (Weinheim, Baden-Wurttemberg, Germany), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

7 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Review
  5. Automatic Explanation of Protein-Protein Binding Mechanism: A Preliminary Study.Computational structural bioinformatics : international workshop, CSBW 2024, Boston, MA, USA, November 16, 2024, proceedings. Computational Structural Bioinformatics Workshop (2024 : Boston, Mass.) · 2025
    Article
  6. Article
  7. MuToN Quantifies Binding Affinity Changes upon Protein Mutations by Geometric Deep Learning.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024
    Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

2 authors.

Pengpai LiDepartment of Biomedical Engineering, School of Control Science and Engineering, Shandong University, Jinan, Shandong, 250061, China.
Zhi-Ping LiuDepartment of Biomedical Engineering, School of Control Science and Engineering, Shandong University, Jinan, Shandong, 250061, China.ORCID 0000-0001-7742-9161

Funding

Fundamental Research Funds for the Central Universities 2022JC008Key Research Program of National Natural Science Foundation of China 62373216Key Research Program of National Natural Science Foundation of China 92374107National Key Research and Development Program of China 2020YFA0712402
6 · The paper itself

Abstract

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.

Indexed as

Protein ConformationProteinsSoftwareAngiotensin-Converting Enzyme 2Deep LearningHumansMutationProtein BindingSARS-CoV-2Spike Glycoprotein, CoronavirusACE2 protein, humanAngiotensin-Converting Enzyme 2ProteinsSpike Glycoprotein, Coronavirusspike protein, SARS-CoV-2binding affinitygeometric deep learningmutation

Identifiers

PMID38995072
PMCPMC11425207

What OpenQuestion holds

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LicenceCC BY
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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.