MétaCan
Menu
Back to cohort
Record W2918182323 · doi:10.1002/cptc.201900016

Photoswitchable Affinity Reagents: Computational Design and Efficient Red‐Light Switching

2019· article· en· W2918182323 on OpenAlexaff
Nobuo Yasuike, Kristin Blacklock, Huixin Lu, Anna S. I. Jaikaran, Sherin McDonald, Maruti Uppalapati, Sagar D. Khare, G. Andrew Woolley

Bibliographic record

VenueChemPhotoChem · 2019
Typearticle
Languageen
FieldMaterials Science
TopicPhotochromic and Fluorescence Chemistry
Canadian institutionsUniversity of SaskatchewanUniversity of Toronto
FundersNational Institute of General Medical Sciences
KeywordsAzobenzeneReagentChemistryFunction (biology)Combinatorial chemistryLinkerModular designMaterials scienceComputer scienceMoleculeOrganic chemistryBiology

Abstract

fetched live from OpenAlex

Abstract Photo‐controlled affinity reagents seek to provide modular spatiotemporal control of bioactivity by conferring photo‐switchability of function on an affinity reagent scaffold. Herein we used Rosetta‐based computational methods to screen for sites on the Fynomer affinity reagent structure for attachment of photoswitchable cross‐linkers. Both established UV‐based cross‐linkers (azobenzene‐iodoacetamide (IAC)) and an azonium‐based efficient red‐light‐switchable cross‐linker, piperazino‐tetra‐ ortho ‐methoxy azobenzene (PIP), were then tested experimentally. Several sites compatible with Fynomer function were identified, including sites showing rapid (<10 s) red light (633 nm) modulation of function. Although a range of overall target binding affinities were observed, the degree of photo‐switchability of Fynomer function was generally small (<twofold). Computational models suggest that local flexibility limits the degree of switching seen in these designs.

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.016
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

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 head0.011
GPT teacher head0.220
Teacher spread0.209 · 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 teacher head, not a consensus.

Study designBench or experimental
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

Citations18
Published2019
Admission routes1
Has abstractyes

Explore more

Same venueChemPhotoChemSame topicPhotochromic and Fluorescence ChemistryFrench-language works237,207