Correction to NMR of CCCC RNA Reveals a Right-Handed Helix and Revised Parameters for AMBER Force Field Torsions Improve Structural Predictions from Molecular Dynamics
Correction to NMR of CCCC RNA Reveals a Right-Handed Helix and Revised Parameters for AMBER Force Field Torsions Improve Structural Predictions from Molecular Dynamics
[Question from NMRWiki Q&A forum] Bruker & Varian phase correction parameters
Bruker & Varian phase correction parameters
Hi,
I am an undergraduate student who is doing a chemistry/computing project. I have chosen to write a simple C program that can import NMR data from commercial spectrometer software into a common format. The scope of my project is restricted to "1D Proton" as time is limited. I'm not sure if the code is going to get used for anything later (I doubt it) and I am not intending to do anything with my work other than get a good grade!
I have a question that relates to the phase correction parameters present in Bruker and Varian datasets:...
nmrlearner
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http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles Assessment of the Use of NMR Chemical Shifts as Replica-Averaged Structural Restraints in Molecular Dynamics Simulations to Characterize the Dynamics of Proteins.
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Abstract
It has been recently...
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nmrlearner
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nmrlearner
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nmrlearner
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Methods of NMR structure refinement: molecular dynamics simulations improve the agree
Methods of NMR structure refinement: molecular dynamics simulations improve the agreement with measured NMR data of a C-terminal peptide of GCN4-p1.
http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--production.springer.de-OnlineResources-Logos-springerlink.gif Related Articles Methods of NMR structure refinement: molecular dynamics simulations improve the agreement with measured NMR data of a C-terminal peptide of GCN4-p1.
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The C-terminal trigger...
nmrlearner
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[NMR paper] The helix-hinge-helix structural motif in human apolipoprotein A-I determined by NMR
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Methods of NMR structure refinement: molecular dynamics simulations improve the agree
Abstract The C-terminal trigger sequence is essential in the coiled-coil formation of GCN4-p1; its conformational properties are thus of importance for understanding this process at the atomic level. A solution NMR model structure of a peptide, GCN4p16â??31, encompassing the GCN4-p1 trigger sequence was proposed a few years ago. Derived using a standard single-structure refinement protocol based on 172 nuclear Overhauser effect (NOE) distance restraints, 14 hydrogen-bond and 11 Ï? torsional-angle restraints, the resulting set of 20 NMR model structures exhibits regular α-helical structure....