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Record W2016753466 · doi:10.1073/pnas.042684599

An NMR approach to structural proteomics

2002· article· en· W2016753466 on OpenAlexaff
Adelinda Yee, Xiaoqing Chang, Antonio Pineda‐Lucena, Bin Wu, Anthony Semesi, Brian Le, Theresa A. Ramelot, Gregory M. Lee, Sudeepa Bhattacharyya, Pablo Gutiérrez, Aleksej Denisov, Chang‐Hun Lee, John Cort, Guennadi Kozlov, Jack Liao, G. Finak, Limin Chen, David S. Wishart, Weontae Lee, Lawrence P. McIntosh, Kalle Gehring, Michael A. Kennedy, A.M. Edwards, C.H. Arrowsmith

Bibliographic record

VenueProceedings of the National Academy of Sciences · 2002
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicProtein Structure and Dynamics
Canadian institutionsOntario Institute for Cancer Research
FundersPacific Northwest National LaboratoryBiological and Environmental ResearchKorea Science and Engineering FoundationBattelleNational Institute of General Medical SciencesNational Institutes of HealthU.S. Department of Energy
KeywordsStructural genomicsProteomeProteomicsComputational biologyNuclear magnetic resonance spectroscopyStructural biologyGenomeProtein structureBiologyChemistryBioinformaticsBiochemistryGeneStereochemistry

Abstract

fetched live from OpenAlex

The influx of genomic sequence information has led to the concept of structural proteomics, the determination of protein structures on a genome-wide scale. Here we describe an approach to structural proteomics of small proteins using NMR spectroscopy. Over 500 small proteins from several organisms were cloned, expressed, purified, and evaluated by NMR. Although there was variability among proteomes, overall 20% of these proteins were found to be readily amenable to NMR structure determination. NMR sample preparation was centralized in one facility, and a distributive approach was used for NMR data collection and analysis. Twelve structures are reported here as part of this approach, which allowed us to infer putative functions for several conserved hypothetical proteins.

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)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.002
Threshold uncertainty score0.007

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.001
Science and technology studies0.0010.001
Scholarly communication0.0010.002
Open science0.0010.002
Research integrity0.0010.003
Insufficient payload (model declined to judge)0.0020.002

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 head0.025
GPT teacher head0.281
Teacher spread0.256 · 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 designBench or experimental
Domainnot available
GenreMethods

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

Citations223
Published2002
Admission routes1
Has abstractyes

Explore more

Same venueProceedings of the National Academy of SciencesSame topicProtein Structure and DynamicsFrench-language works237,207