Reference-free NOE NMR analysis.

Chemical Science
Martin R M KoosRoberto R Gil

Abstract

Nuclear Overhauser Effect (NOE) methods in NMR are an important tool for 3D structural analysis of small molecules. Quantitative NOE methods conventionally rely on reference distances, known distances that have to be spectrally separated and are not always available. Here we present a new method for evaluation and 3D structure selection that does not require a reference distance, instead utilizing structures optimized by molecular mechanics, enabling NOE evaluation even on molecules without suitable reference groups.

References

Feb 18, 1994·Science·F Flam
Jul 1, 1997·Antimicrobial Agents and Chemotherapy·N J White
Sep 2, 2003·Angewandte Chemie·Michael J Thrippleton, James Keeler
Jun 30, 2006·Journal of Magnetic Resonance·Haitao Hu, Krish Krishnamurthy
May 12, 2010·Physical Chemistry Chemical Physics : PCCP·Charles P Slichter
Nov 3, 2010·Organic & Biomolecular Chemistry·Craig P ButtsNicholas J Barron
Nov 27, 2010·Chemical Communications : Chem Comm·Craig P ButtsJeremy N Harvey
Jan 8, 2013·Natural Product Reports·Rosemary C Breton, William F Reynolds
Feb 19, 2014·Progress in Nuclear Magnetic Resonance Spectroscopy·Beat Vögeli
Mar 1, 2017·Angewandte Chemie·Eduardo Troche-PesqueiraArmando Navarro-Vázquez
Jul 13, 2018·Chemistry : a European Journal·Stefan ImmelMichael Reggelin
Jun 27, 2019·Magnetic Resonance in Chemistry : MRC·Lydia DewisCraig Butts

❮ Previous
Next ❯

Citations

Nov 17, 2020·Magnetic Resonance in Chemistry : MRC·Mikhail Elyashberg, Dimitris Argyropoulos

❮ Previous
Next ❯

Methods Mentioned

BETA
NMR

Software Mentioned

CAMELSPIN
MMFFs

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

International Journal of Environmental Research and Public Health
Margarita Triguero-MasMark J Nieuwenhuijsen
Journal of Magnetic Resonance
Haitao Hu, Krish Krishnamurthy
Journal of Biomolecular NMR
Vladlena KharchenkoŁukasz Jaremko
American Journal of Respiratory and Critical Care Medicine
R E CarlinT S Hakim
© 2021 Meta ULC. All rights reserved