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A Topological Data Analysis of the Protein Structure

2023· article· en· W4389892881 on OpenAlexvenueno aff
Zakaria Lamine, My Ismail Mamouni, M. W. Mansouri

Bibliographic record

VenueInternational Journal of Analysis and Applications · 2023
Typearticle
Languageen
FieldComputer Science
TopicTopological and Geometric Data Analysis
Canadian institutionsnot available
Fundersnot available
KeywordsPersistent homologyTopological data analysisEmbeddingComputer scienceRigidity (electromagnetism)Homology (biology)Topology (electrical circuits)Computational topologyTheoretical computer scienceData miningMathematicsAlgorithmArtificial intelligenceCombinatoricsBiology

Abstract

fetched live from OpenAlex

Persistent homology is a tool from a set of methods called Topological data analysis, showing until nowadays a lot of success when it comes to application in biology since this latest uses metrics only for measuring similarities, Embedding the geometric details and focusing on the global shape is the key point making the success of persistent homology, this will be investigated in the paper since enormous work already done in the field and results seems to be endless, as an efficient topological data analysis tool. In this work we will be confirming the latest assumption (topology embeds geometry) by displaying the structure of COILED SERINE which is a protein estimated to constitute 3-5 percent of the encoded residues in most genomes, and giving a substitute of the optimal characteristic distance that can be used in the flexibility-rigidity index, a classic method used to simulate molecule movements and flexible behavior, when it comes to atomic rigidity functions. We will also analyze interesting patterns in the binding site of the beta sheet generated from the pdb file 2JOX. We will be detecting and giving a simple description of different patterns generated by using javaplex generating barcodes and linear statistical results as a summary statistics.

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)0.007
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: none
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.013
Threshold uncertainty score0.026

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.007
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0130.006
Science and technology studies0.0010.001
Scholarly communication0.0030.004
Open science0.0010.002
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0080.002

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 head0.028
GPT teacher head0.317
Teacher spread0.289 · 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

Citations0
Published2023
Admission routes1
Has abstractyes

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