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Record W2334998514 · doi:10.14288/1.0073509

Generalized distance and applications in protein folding

2013· article· en· W2334998514 on OpenAlexaff
Ali Reza Mohazab

Bibliographic record

VenuecIRcle (University of British Columbia) · 2013
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicProtein Structure and Dynamics
Canadian institutionsUniversity of British Columbia
Fundersnot available
KeywordsProtein foldingComputer scienceBiologyCell biology

Abstract

fetched live from OpenAlex

The Euclidean distance, D, between two points is generalized to the distance between strings or polymers. The problem is of great mathematical beauty and very rich in structure even for the simplest of cases. The necessary and sufficient conditions for finding minimal distance transformations are presented. Locally minimal solutions for one-link and two-link chains are discussed, and the large N limit of a polymer is studied. Applications of D to protein folding and structural alignment are explored, in particular for finding minimal folding pathways. Non-crossing constraints and the resulting untangling moves in folding pathways are discussed as well. It is observed that, compared to the total distance, these extra untangling moves constitute a small fraction of the total movement. The resulting extra distance from untangling movements (Dnx ) are used to distinguish different protein classes, e.g. knotted proteins from unknotted proteins. By studying the ensembles of untangling moves, dominant folding pathways are constructed for three proteins, in particular a knotted protein. Finally, applications of D, and related metrics to protein folding rate prediction are discussed. It is seen that distance metrics are good at predicting the folding rates of 3-state folders.

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)0.004
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: Theoretical or conceptual
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.003
Threshold uncertainty score0.010

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.004
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0030.005
Science and technology studies0.0010.002
Scholarly communication0.0010.002
Open science0.0010.002
Research integrity0.0020.002
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 head0.003
GPT teacher head0.166
Teacher spread0.163 · 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 designTheoretical or conceptual
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
Published2013
Admission routes1
Has abstractyes

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