ArticleNature communications2020
Diffuse X-ray scattering from correlated motions in a protein crystal.
Article in Nature communications, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 36 papers.
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Who cites it
36 citing papers in PubMed, 48 citations in OpenAlex.
- Lysozyme revisited: evaluating models of a reference protein in structural biology.Current research in structural biology · 2026Article
- Aromatic ring flips reveal reshaping of protein dynamics in crystals and complexes.Nature chemistry · 2026Article
- From possibility to precision in macromolecular ensemble prediction.Nature methods · 2026Article
- Black-box data: a new paradigm for biomedicine in the AI era.Chemical science · 2026Review
- The Use of Synchrotron Radiation in the Medical Sciences.Photon science · 2026Article
- Sparse networks of conformational fluctuations communicate signals within proteins.bioRxiv : the preprint server for biology · 2025Article
- Semi-automated modeling of reaction states in time-resolved serial femtosecond crystallography using molecular dynamics sampled conformations.Structural dynamics (Melville, N.Y.) · 2025Article
- Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0].Living journal of computational molecular science · 2025Article
- Energy filtering enables macromolecular MicroED data at sub-atomic resolution.Nature communications · 2025Article
- Energy filtering enables macromolecular MicroED data at sub-atomic resolution.bioRxiv : the preprint server for biology · 2024Article
- Scaling and merging macromolecular diffuse scattering with mdx2.Acta crystallographica. Section D, Structural biology · 2024Article
- Functional protein dynamics in a crystal.Nature communications · 2024Article
- Functional Protein Dynamics in a Crystal.bioRxiv : the preprint server for biology · 2024Article
- Scaling and merging macromolecular diffuse scattering withbioRxiv : the preprint server for biology · 2024Article
- High-Resolution Electron Diffraction of Hydrated Protein Crystals at Room Temperature.ACS nano · 2023Article
- Quantifying Molecular Disorder in Tri-Isopropyl Silane (TIPS) Pentacene Using Variable Coherence Transmission Electron Microscopy.The journal of physical chemistry letters · 2023Article
- Advancement of Computational Design Drug Delivery System in COVID-19: Current Updates and Future Crosstalk- A Critical update.Infectious disorders drug targets · 2023Article
- Processing macromolecular diffuse scattering data.bioRxiv : the preprint server for biology · 2023Article
- Emerging Time-Resolved X-Ray Diffraction Approaches for Protein Dynamics.Annual review of biophysics · 2023Review
- Torsion angles to map and visualize the conformational space of a protein.Protein science : a publication of the Protein Society · 2023Article
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Authors and funding
3 authors at 2 institutions in 1 country.
Funding
Abstract
Protein dynamics are integral to biological function, yet few techniques are sensitive to collective atomic motions. A long-standing goal of X-ray crystallography has been to combine structural information from Bragg diffraction with dynamic information contained in the diffuse scattering background. However, the origin of macromolecular diffuse scattering has been poorly understood, limiting its applicability. We present a finely sampled diffuse scattering map from triclinic lysozyme with unprecedented accuracy and detail, clearly resolving both the inter- and intramolecular correlations. These correlations are studied theoretically using both all-atom molecular dynamics and simple vibrational models. Although lattice dynamics reproduce most of the diffuse pattern, protein internal dynamics, which include hinge-bending motions, are needed to explain the short-ranged correlations revealed by Patterson analysis. These insights lay the groundwork for animating crystal structures with biochemically relevant motions.
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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 OpenQuestion graph.