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

Computer-aided conformational analysis based on NOESY signal intensities.

N H Andersen1, X N Lai, P K Hammen

  • 1Department of Chemistry, University of Washington, Seattle 98195.

Basic Life Sciences
|January 1, 1990
PubMed
Summary

This study introduces automated Nuclear Overhauser Effect SpectroscopY (NOESY) data analysis for conformational analysis. The programs determine molecular motion and optimize experiments, aiding in structure elucidation of complex molecules.

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

One-year incidence of depression, anxiety, or stress disorders following a first-time heart failure diagnosis: A Danish nationwide registry-based study.

American heart journal plus : cardiology research and practice·2024
Same author

"Pure" severe aortic stenosis without concomitant valvular heart diseases: echocardiographic and pathophysiological features.

The international journal of cardiovascular imaging·2020
Same author

Extreme mobility enhancement of two-dimensional electron gases at oxide interfaces by charge-transfer-induced modulation doping.

Nature materials·2015
Same author

High pulse pressure is not associated with abnormal activation of the renin-angiotensin-aldosterone system in repaired aortic coarctation.

Journal of human hypertension·2014
Same author

Measurement of unique magnetic and superconducting phases in oxygen-doped high-temperature superconductors La(2-x)Sr(x)CuO(4+y).

Physical review letters·2013
Same author

Structure and magnetic properties of Cu3Ni2SbO6 and Cu3Co2SbO6 Delafossites with honeycomb lattices.

Inorganic chemistry·2013

Area of Science:

  • Biophysical Chemistry
  • Computational Chemistry
  • Structural Biology

Background:

  • Nuclear Overhauser Effect SpectroscopY (NOESY) is crucial for molecular structure determination.
  • Analyzing NOESY data for conformational analysis can be complex and time-consuming.
  • Automated methods are needed to efficiently interpret NOESY signal matrices.

Purpose of the Study:

  • To develop a suite of programs for automated NOESY data evaluation.
  • To determine molecular motional features and optimize experimental conditions.
  • To facilitate iterative conformational analysis using molecular modeling.

Main Methods:

  • Development of programs for automated NOESY data analysis.
  • Incorporation of NOESYSIM subroutine for calculating NOESY signal matrices.

Related Experiment Videos

  • Iterative conformational refinement through comparison of experimental and model data.
  • Application of distance-constraint based minimizations for larger molecules.

    • Main Results:

    • Successful determination of motional features and optimal experimental parameters.
    • Generation of accurate NOESY signal matrices reflecting conformational models.
    • Illustration of conformational analysis for prostanoids, peptide hormones, and antibiotics.
    • Development of a novel procedure for deriving accurate distance constraints.

    Conclusions:

    • The developed automated NOESY analysis suite enables efficient conformational analysis.
    • The methods are applicable to diverse molecules, including complex natural products.
    • The novel distance constraint procedure enhances accuracy in structure elucidation.