ReviewNature reviews. Chemistry2023
Ensemble determination by NMR data deconvolution.
Review in Nature reviews. Chemistry, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
13 citing papers in PubMed.
- Pulse Programme Considerations for Quantitative NOE Analysis.Magnetic resonance in chemistry : MRC · 2026Article
- Beyond a single structure: complementary IR and NMR signatures of multi-minima noncovalent binding.Chemical science · 2026Article
- Solution Ensembles of Griselimycin Expand the Definition of Molecular Chameleonicity.Journal of medicinal chemistry · 2026Article
- Dynamics of (Hetero)aryl Motifs: An Integrative Approach To Study the Conformational Landscape in Macrocycles.Journal of the American Chemical Society · 2026Article
- Temperature Replica-Exchange Molecular Dynamics Reveals a Heterogeneous Recognition-Compatible Ensemble of the Laminin-Derived Peptide CDPGYIGSR.Biomolecules · 2026Article
- Probing Weak Halogen Bonding in Aqueous Solution.Journal of the American Chemical Society · 2026Article
- Conformational Trajectory of the Molecular Chameleon Grazoprevir From Formulation to Target-Bound.Chemistry (Weinheim an der Bergstrasse, Germany) · 2026Article
- Conformational dynamics of fuzzy interfaces in disordered protein complexes: mapping key residues and binding modes beyond NMR models.Frontiers in bioinformatics · 2026Article
- Molecular chameleons adaptability in target binding.Structural dynamics (Melville, N.Y.) · 2025Article
- Rational Design of PROTAC Linkers Featuring Ferrocene as a Molecular Hinge to Enable Dynamic Conformational Changes.Journal of the American Chemical Society · 2025Article
- Impact of Linker Composition on VHL PROTAC Cell Permeability.Journal of medicinal chemistry · 2025Article
- Molecular chameleons in drug discovery.Nature reviews. Chemistry · 2024Review
- Conformational Analysis of 1,5-Diaryl-3-Oxo-1,4-Pentadiene Derivatives: A Nuclear Overhauser Effect Spectroscopy Investigation.International journal of molecular sciences · 2023Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Nuclear magnetic resonance (NMR) is the spectroscopic technique of choice for determining molecular conformations in solution at atomic resolution. As solution NMR spectra are rich in structural and dynamic information, the way in which the data should be acquired and handled to deliver accurate ensembles is not trivial. This Review provides a guide to the NMR experiment selection and parametrization process, the generation of viable theoretical conformer pools and the deconvolution of time-averaged NMR data into a conformer ensemble that accurately represents a flexible molecule in solution. In addition to reviewing the key elements of solution ensemble determination of flexible mid-sized molecules, the feasibility and pitfalls of data deconvolution are discussed with a comparison of the performance of representative algorithms.
Indexed as
Identifiers
37169885What Socratic holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.