[NMR paper] MD Simulations to Calculate NMR Relaxation Parameters of Vanadium(IV) Complexes: A Promising Diagnostic Tool for Cancer and Alzheimer's Disease
Early phase diagnosis of human diseases has still been a challenge in the medicinal field, and one of the efficient non-invasive techniques that is vastly used for this purpose is magnetic resonance imaging (MRI). MRI is able to detect a wide range of diseases and conditions, including nervous system disorders and cancer, and uses the principles of NMR relaxation to generate detailed internal images of the body. For such investigation, different metal complexes have been studied as potential MRI...
[NMR paper] 19F NMR: A promising tool for dynamic conformational studies of G protein-coupled receptors
19F NMR: A promising tool for dynamic conformational studies of G protein-coupled receptors
Advances in X-ray crystallography and cryoelectron microscopy enabled unprecedented insights into the activation processes of G protein-coupled receptors (GPCRs). However, these static receptor structures provide limited information about dynamics and conformational transitions that play pivotal roles in mediating signaling diversity through the multifaceted interactions between ligands, receptors, and transducers. Developing NMR approaches to probe the dynamics of conformational transitions...
...
nmrlearner
Journal club
0
09-23-2022 06:24 AM
[NMR paper] Ab-initio Prediction of NMR Spin-Relaxation Parameters from Molecular Dynamics Simulations.
Ab-initio Prediction of NMR Spin-Relaxation Parameters from Molecular Dynamics Simulations.
Related Articles Ab-initio Prediction of NMR Spin-Relaxation Parameters from Molecular Dynamics Simulations.
J Chem Theory Comput. 2018 Jan 02;:
Authors: Chen PC, Hologne M, Walker O, Hennig J
Abstract
1H-15N NMR spin relaxation and relaxation dispersion experiments can reveal the time scale and extent of protein motions across the ps-ms range, where the ps-ns dynamics revealed by fundamental quantities R1, R2, and heteronuclear NOE can be...
nmrlearner
Journal club
0
01-04-2018 08:45 AM
NMR relaxation parameters of methyl groups as a tool to map the interfaces of helixâ??helix interactions in membrane proteins
NMR relaxation parameters of methyl groups as a tool to map the interfaces of helixâ??helix interactions in membrane proteins
Abstract
In the case of soluble proteins, chemical shift mapping is used to identify the intermolecular interfaces when the NOE-based calculations of spatial structure of the molecular assembly are impossible or impracticable. However, the reliability of the membrane protein interface mapping based on chemical shifts or other relevant parameters was never assessed. In the present work, we investigate the predictive power of...
nmrlearner
Journal club
0
10-24-2017 05:09 PM
Study reveals insights into protein linked to cancer and Alzheimer's disease - Phys.Org
http://www.bionmr.com//t2.gstatic.com/images?q=tbn:ANd9GcSWI4MEyAKap5sPkmjZDVOz54ftSxtRd9JGH5zRAazKibUp4bqE85WneiO-T0Zw4Yodm98XzkWk
Phys.Org
<img alt="" height="1" width="1">
Study reveals insights into protein linked to cancer and Alzheimer's disease
Phys.Org
Using high-field nuclear magnetic resonance (NMR) spectroscopy, Peng and his group propose answers to both questions. He explained with a metaphor. "When Pin 1 is by itself, its two domains, call them 'A' and 'B,' have greater physical contact," he said.
and more »
Study reveals insights into protein linked to cancer...
nmrlearner
Online News
0
06-07-2016 12:27 AM
Study reveals insights into protein linked to cancer, Alzheimer's disease - Science Daily
Study reveals insights into protein linked to cancer, Alzheimer's disease - Science Daily
<img alt="" height="1" width="1">
Study reveals insights into protein linked to cancer, Alzheimer's disease
Science Daily
NMR-based model for Pin1 (â??Aâ?? and â??Bâ?? globular domains), and its interaction with its â??disorderedâ?? protein targets pertinent to cancer and Alzheimer's disease (green). The Pin1 â??Aâ?? and â??Bâ?? domains specialize in peptidyl-prolyl isomerase activity and ...
Read here
nmrlearner
Online News
0
06-05-2016 02:18 AM
Study reveals insights into protein linked to cancer and Alzheimer's disease - ND Newswire
http://www.bionmr.com//t1.gstatic.com/images?q=tbn:ANd9GcSIEIFHvN6wSSfDhV3FRW2RysVGw70jeqtPX6kqekedo4rSL4MKJDugtd0x7ybXwVV7oDG_T8s
ND Newswire
<img alt="" height="1" width="1">
Study reveals insights into protein linked to cancer and Alzheimer's disease
ND Newswire
Using high-field nuclear magnetic resonance (NMR) spectroscopy, Peng and his group propose answers to both questions. He explained with a metaphor. â??When Pin 1 is by itself, its two domains, call them 'A' and 'B,' have greater physical contact,â?? he said.
and more »
Study reveals insights into protein linked to...
nmrlearner
Online News
0
06-03-2016 04:52 PM
Study Reveals Insights Into Protein Linked to Cancer and Alzheimer's Disease - Newswise (press release)
Study Reveals Insights Into Protein Linked to Cancer and Alzheimer's Disease - Newswise (press release)
<img alt="" height="1" width="1">
Study Reveals Insights Into Protein Linked to Cancer and Alzheimer's Disease
Newswise (press release)
Yet they are increasingly recognized as functional units, figuring prominently in cancer-related proteins. So a second question has been, how does Pin1 interact with those disordered sites? Using high-field nuclear magnetic resonance (NMR) spectroscopy ...
and more »
Read here
MD Simulations to Calculate NMR Relaxation Parameters of Vanadium(IV) Complexes: A Promising Diagnostic Tool for Cancer and Alzheimer's Disease
Linear Mode
