Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Hydrodynamic models and computational methods for NMR relaxation.

J García de la Torre1, P Bernadó, M Pons

  • 1Departamento de Química Física, Universidad de Murcia, Spain.

Methods in Enzymology
|April 6, 2005
PubMed
Summary
This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Information needs on nutrition in link to cancer prevention among cancer patients, high-risk individuals and general population - A national cross-sectional study.

Clinical nutrition ESPEN·2023
Same author

An epidemiologic retrospective study of maxillofacial traumatology in the elderly.

Journal of stomatology, oral and maxillofacial surgery·2022
Same author

[A comparative study of recreational screen time in neurodevelopmental disorders].

Revista de neurologia·2022
Same author

Speed-up and slow-down of a quantum particle.

Scientific reports·2022
Same author

Intraoperative cone beam assessment after reduction of zygomatic fractures helps in taking a decision on associated orbital floor fractures.

Journal of stomatology, oral and maxillofacial surgery·2022
Same author

Heat rectification with a minimal model of two harmonic oscillators.

Physical review. E·2021
Same journal

Clinical Europium fluorescent based lectin assays for mucin O-glycomics.

Methods in enzymology·2026
Same journal

A dual-color FRET assay for detection and quantitative analysis of O-glycopeptidases.

Methods in enzymology·2026
Same journal

Evolutionary genetic approaches to analyze mucins.

Methods in enzymology·2026
Same journal

Ex vivo imaging and enzymatic analysis of intestinal mucus.

Methods in enzymology·2026
Same journal

Glyco-TRAPP: A real-time glycocalyx permeability assay for assessing transmembrane mucin barrier function in live and fixed tissues.

Methods in enzymology·2026
Same journal

Quantitative imaging approaches to capture structural and functional dynamics of colonic mucus in health and disease in situ.

Methods in enzymology·2026
See all related articles

Analyzing macromolecule dynamics using NMR relaxation data is crucial. Hydrodynamic calculations accurately predict rotational diffusion, aiding structural model validation and detecting molecular interactions.

Area of Science:

  • Biophysics
  • Structural Biology
  • Nuclear Magnetic Resonance (NMR) Spectroscopy

Background:

  • NMR relaxation data interpretation relies on understanding macromolecule dynamics in solution.
  • For quasirigid molecules, overall rotational diffusion dominates over local mobility.
  • Accurate theoretical and computational methods for hydrodynamic calculations are vital for NMR relaxation analysis.

Purpose of the Study:

  • To enable comparison between measured NMR relaxation rates and structural models.
  • To provide a framework for interpreting local motion in anisotropic systems.
  • To offer methods for detecting chemical exchange, aggregation, or oligomer formation.

Main Methods:

  • Utilizing theoretical descriptions and computational methodologies for hydrodynamic calculations.

Related Experiment Videos

  • Employing recent approaches for realistic predictions of the rotational diffusion tensor from atomic-resolution structures.
  • Applying Brownian dynamics simulations for flexible multidomain structures.

    • Main Results:

    • Hydrodynamic calculations yield the full, anisotropic rotational diffusion tensor for rigid molecules.
    • Comparison of relaxation rates and structural models serves as an independent test of structural integrity.
    • The methodology is applicable to globular proteins, small DNA fragments, and other molecular systems.

    Conclusions:

    • Atomic-detail predictions of rotational diffusion significantly enhance NMR relaxation data interpretation.
    • This approach validates structural models, clarifies local dynamics, and detects non-specific interactions.
    • The methodology extends to flexible molecules and diverse biomolecular structures beyond proteins.