[NMR paper] Probabilistic Modeling of RNA Ensembles Using NMR Chemical Shifts
Probabilistic Modeling of RNA Ensembles Using NMR Chemical Shifts
NMR-derived chemical shifts are structural fingerprints that are sensitive to the underlying conformational distributions of molecules. Thus, chemical shift data are now routinely used to infer the dynamical or conformational ensembles of peptides and proteins. However, for RNAs, techniques for inferring their conformational ensembles from chemical shift data have received less attention. Here, we used chemical shift data and the Bayesian/maximum entropy (BME) approach to model the secondary...
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08-28-2021 07:56 AM
[ASAP] NMR Relaxation Dispersion Reveals Macrocycle Breathing Dynamics in a Cyclodextrin-based Rotaxane
NMR Relaxation Dispersion Reveals Macrocycle Breathing Dynamics in a Cyclodextrin-based Rotaxane
Shannon Stoffel†, Qi-Wei Zhang§, Dong-Hao Li†, Bradley D. Smith†, and Jeffrey W. Peng*†?
https://pubs.acs.org/na101/home/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/jacs.9b12524/20200408/images/medium/ja9b12524_0007.gif
Journal of the American Chemical Society
DOI: 10.1021/jacs.9b12524
http://feeds.feedburner.com/~r/acs/jacsat/~4/oHHm-vBMmPQ
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04-09-2020 05:35 AM
[NMR paper] NMR resonance assignments of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) in complex with a farnesyl ligand.
NMR resonance assignments of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) in complex with a farnesyl ligand.
Related Articles NMR resonance assignments of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) in complex with a farnesyl ligand.
Biomol NMR Assign. 2017 Feb 24;:
Authors: Yu L, Yadav RP, Artemyev NO
Abstract
Aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) is a specialized chaperone of phosphodiesterase 6, a key effector enzyme in...
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02-28-2017 12:02 AM
Hyperpolarization of Frozen Hydrocarbon Gases by Dynamic Nuclear Polarization at 1.2 K #DNPNMR
From The DNP-NMR Blog:
Hyperpolarization of Frozen Hydrocarbon Gases by Dynamic Nuclear Polarization at 1.2 K #DNPNMR
Vuichoud, B., et al., Hyperpolarization of Frozen Hydrocarbon Gases by Dynamic Nuclear Polarization at 1.2 K. J Phys Chem Lett, 2016. 7(16): p. 3235-9.
https://www.ncbi.nlm.nih.gov/pubmed/27483034
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09-22-2016 10:41 PM
[NMR paper] Lipid dynamics studied by calculation of 31P solid-state NMR spectra using ensembles from molecular dynamics simulations.
Lipid dynamics studied by calculation of 31P solid-state NMR spectra using ensembles from molecular dynamics simulations.
http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles Lipid dynamics studied by calculation of 31P solid-state NMR spectra using ensembles from molecular dynamics simulations.
J Phys Chem B. 2014 May 15;118(19):5119-29
Authors: Hansen SK, Vestergaard M, Thøgersen L, Schiøtt B, Nielsen NC, Vosegaard T
Abstract
We present a method to...
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04-22-2015 03:33 PM
[NMR paper] Multiple Locations of Peptides in the Hydrocarbon Core of Gel-Phase Membranes Revealed by Peptide (13)C to Lipid (2)H REDOR Solid-State NMR.
Multiple Locations of Peptides in the Hydrocarbon Core of Gel-Phase Membranes Revealed by Peptide (13)C to Lipid (2)H REDOR Solid-State NMR.
Multiple Locations of Peptides in the Hydrocarbon Core of Gel-Phase Membranes Revealed by Peptide (13)C to Lipid (2)H REDOR Solid-State NMR.
Biochemistry. 2014 Dec 22;
Authors: Weliky DP
Abstract
Membrane locations of peptides and proteins are often critical to their functions. Solid-state rotational-echo double-resonance (REDOR) NMR is applied to probe the locations of two peptides via...
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12-23-2014 12:58 PM
[NMR paper] Conformational Ensembles in GPCR Activation.
Conformational Ensembles in GPCR Activation.
Related Articles Conformational Ensembles in GPCR Activation.
Cell. 2013 Jan 31;152(3):385-6
Authors: Vardy E, Roth BL
Abstract
Recent advances in G-protein-coupled receptor structural biology have provided only limited insight into the active conformations of these key signaling molecules. A paper from Nygaard et*al. reveals the dynamic nature of GPCRs along the activation pathway by complementing NMR experiments with ultralong-timescale molecular dynamics simulations.
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02-05-2013 09:51 PM
Programs for alignment of protein NMR ensembles
If you need to align models in your NMR ensemble, you can use the following programs to do so. MolMol
- Official website
- Linux binaries from Patrick Finerty website
- BioXRay distribution
SuperPose server
Suppose
Hydrocarbon Macrocycle Conformer Ensembles and 13C-NMR spectra
Linear Mode
