NMR methods for investigating functionally relevant biomolecular dynamics
Bibliographic record
Abstract
The dynamics of biomolecules span across a wide range of timescales, reflecting the complexity of free energy landscapes of biomolecules. Among these, the microsecond-to-millisecond (μs–ms) timescale dynamics are particularly significant, offering detailed insights into the kinetic, thermodynamic, and structural aspects of biological function. Many critical biological processes, including enzyme catalysis, protein folding, ligand binding, and allosteric regulation, operate within this timescale. Nuclear magnetic resonance (NMR) spectroscopy is a powerful technique for probing molecular dynamics in this time window, commonly used NMR methods for investigating μs–ms timescale dynamics include Carr–Purcell–Meiboom–Gill (CPMG) relaxation dispersion, chemical exchange saturation transfer (CEST), and rotating-frame longitudinal relaxation dispersion ( R 1 ρ relaxation dispersion). This review provides a brief overview of the fundamental principles and some recent advances of these methods, highlighting their interrelationships and applications in elucidating biomolecular dynamics.
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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 | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.003 | 0.003 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.001 | 0.002 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.001 | 0.003 |
| Insufficient payload (model declined to judge) | 0.004 | 0.004 |
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.
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".