MétaCan
Menu
Back to cohort
Record W2470406062 · doi:10.1021/jacs.6b06543

Finding Our Way in the Dark Proteome

2016· article· en· W2470406062 on OpenAlexafffund
Asmit Bhowmick, David H. Brookes, Shane R. Yost, H. Jane Dyson, Julie D. Forman‐Kay, Dan Gunter, Martin Head‐Gordon, Greg L. Hura, Vijay S. Pande, David E. Wemmer, Peter E. Wright, Teresa Head‐Gordon

Bibliographic record

VenueJournal of the American Chemical Society · 2016
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicProtein Structure and Dynamics
Canadian institutionsHospital for Sick ChildrenUniversity of Toronto
FundersBasic Energy SciencesDivision of ChemistryNational Institute of General Medical SciencesNatural Sciences and Engineering Research Council of CanadaCanada Research ChairsU.S. Department of EnergyNational Cancer InstituteNational Institutes of HealthNational Science Foundation
KeywordsProteomeChemistryComputational biologyIntrinsically disordered proteinsHuman proteome projectBiomolecular structureFunction (biology)Human proteinsStructural biologyProbabilistic logicStructural genomicsProteomicsNanotechnologyProtein structureComputer scienceArtificial intelligenceGeneEvolutionary biologyBiologyBiochemistry

Abstract

fetched live from OpenAlex

The traditional structure-function paradigm has provided significant insights for well-folded proteins in which structures can be easily and rapidly revealed by X-ray crystallography beamlines. However, approximately one-third of the human proteome is comprised of intrinsically disordered proteins and regions (IDPs/IDRs) that do not adopt a dominant well-folded structure, and therefore remain "unseen" by traditional structural biology methods. This Perspective considers the challenges raised by the "Dark Proteome", in which determining the diverse conformational substates of IDPs in their free states, in encounter complexes of bound states, and in complexes retaining significant disorder requires an unprecedented level of integration of multiple and complementary solution-based experiments that are analyzed with state-of-the art molecular simulation, Bayesian probabilistic models, and high-throughput computation. We envision how these diverse experimental and computational tools can work together through formation of a "computational beamline" that will allow key functional features to be identified in IDP structural ensembles.

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)0.006
metaresearch head score (Gemma)0.008
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 score0.012
Threshold uncertainty score0.040

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0060.008
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0030.007
Scholarly communication0.0050.015
Open science0.0020.009
Research integrity0.0030.009
Insufficient payload (model declined to judge)0.0120.004

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 head0.007
GPT teacher head0.253
Teacher spread0.247 · 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

Citations130
Published2016
Admission routes2
Has abstractyes

Explore more

Same venueJournal of the American Chemical SocietySame topicProtein Structure and DynamicsFrench-language works237,207