Probing the formation of a hetero-dimeric membrane transport complex with dual in vitro and in silico mutagenesis.
Bibliographic record
Abstract
This research study investigates the formation of SERCA-PLN complex from a PLN monomer or PLN pentamer in the lipid membrane. Specifically, a change in binding affinity due to alanine mutations in the transmembrane region of PLN (I18A - L52A) is correlated with calcium transporting activity of SERCA – exhibiting gain-of-function or loss-of-function characteristics due to these mutations. This dataset contains three files involving free-energy calculations for alanine substitution mutations in SERCA-PLN complex (PDB: 4KYT), PLN monomer (PDB: 1FJK) and PLN pentamer (PDB: 2KYV). These data files were generated using VMD (version 1.9.4) ParseFEP plugin. For additional information, see the methods section of the corresponding publication (https://doi.org/10.1039/d4sc02915a).
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot 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.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.002 | 0.005 |
| Meta-epidemiology (narrow) | 0.002 | 0.001 |
| Meta-epidemiology (broad) | 0.002 | 0.002 |
| Bibliometrics | 0.002 | 0.003 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.002 | 0.001 |
| Open science | 0.003 | 0.002 |
| Research integrity | 0.004 | 0.002 |
| Insufficient payload (model declined to judge) | 0.030 | 0.033 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
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".