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Record W4408794413 · doi:10.1109/swc62898.2024.00344

Modeling of All Mutant and Wild Protein Structures Using Metaverse ESM: Surface Area Analysis and Implications

2024· article· en· W4408794413 on OpenAlexaff
Said A. Salloum, Azza Basiouni, Fuhua Lin, Raghad Alfaisal, Khaled Shaalan

Bibliographic record

Venuenot available
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicInsect and Arachnid Ecology and Behavior
Canadian institutionsAthabasca University
Fundersnot available
KeywordsMutantComputer scienceChemistryBiochemistryGene

Abstract

fetched live from OpenAlex

The integration of virtual reality and advanced modeling platforms in the Metaverse has revolutionized the way biochemical data is visualized and analyzed. Specifically, the Evolutionary Scale Modeling (ESM) within the Metaverse provides an innovative environment for simulating and examining protein structures, allowing for both mutant and wild type analyses. Traditional bioinformatics tools often require substantial computational resources and can be limited in interactive capabilities, posing challenges in rapidly modeling variations in protein structures, especially for educational and research purposes in the Metaverse. This study exploits the capabilities of the Metaverse ESM to generate and analyze surface area models of all mutant and wild protein structures. We applied logistic regression, a robust machine learning method, to classify residues based on their surface area characteristics such as total, apolar, backbone, and sidechain areas. This approach facilitated a streamlined analysis directly within the Metaverse platform, enhancing accessibility and interactive learning. Our model achieved perfect classification metrics-accuracy, precision, recall, and F1 score of 1.0—highlighting the effectiveness of combining Metaverse ESM tools with machine learning. The ROC curve further demonstrated the model’s exceptional discriminative ability with an AUC of 1.0, supported by a clear and accurate confusion matrix. The successful implementation of logistic regression for protein surface analysis within the Metaverse showcases the potential for these technologies to simplify and enhance biochemical education and research. This paves the way for broader applications of virtual reality in scientific studies, making complex molecular biology concepts more accessible and engaging through immersive experiences.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.002
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: Simulation or modeling
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.005
Threshold uncertainty score0.010

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.002
Bibliometrics0.0010.001
Science and technology studies0.0000.000
Scholarly communication0.0010.001
Open science0.0020.001
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0030.001

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.023
GPT teacher head0.284
Teacher spread0.261 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designSimulation or modeling
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations2
Published2024
Admission routes1
Has abstractyes

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