BioNMR
NMR aggregator & online community since 2003
BioNMR    
Learn or help to learn NMR - get free NMR books!
 

Go Back   BioNMR > Educational resources > Journal club
Advanced Search



Jobs Groups Conferences Literature Pulse sequences Software forums Programs Sample preps Web resources BioNMR issues


Webservers
NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
PINE
Side-chains:
UNIO ATNOS-Ascan
NOEs:
UNIO ATNOS-Candid
UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
Torsion angles from chemical shifts:
Preditor
TALOS
Promega- Proline
Secondary structure from chemical shifts:
CSI (via RCI server)
TALOS
MICS caps, β-turns
d2D
PECAN
Flexibility from chemical shifts:
RCI
Interactions from chemical shifts:
HADDOCK
Chemical shifts re-referencing:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
NOEs, other restraints:
PROSESS
PSVS
RPF scores
iCing
Chemical shifts:
PROSESS
CheShift2
Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
Anisofit
Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
PSQS
Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
Quality Control Check
NMR spectrum prediction:
FANDAS
MestReS
V-NMR
Flexibility from structure:
Backbone S2
Methyl S2
B-factor
Molecular dynamics:
Gromacs
Amber
Antechamber
Chemical shifts prediction:
From structure:
Shiftx2
Sparta+
Camshift
CH3shift- Methyl
ArShift- Aromatic
ShiftS
Proshift
PPM
CheShift-2- Cα
From sequence:
Shifty
Camcoil
Poulsen_rc_CS
Disordered proteins:
MAXOCC
Format conversion & validation:
CCPN
From NMR-STAR 3.1
Validate NMR-STAR 3.1
NMR sample preparation:
Protein disorder:
DisMeta
Protein solubility:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR


Reply
Thread Tools Search this Thread Rate Thread Display Modes
  #1  
Unread 08-29-2014, 05:36 PM
nmrlearner's Avatar
Senior Member
 
Join Date: Jan 2005
Posts: 20,430
Points: 193,617, Level: 100
Points: 193,617, Level: 100 Points: 193,617, Level: 100 Points: 193,617, Level: 100
Level up: 0%, 0 Points needed
Level up: 0% Level up: 0% Level up: 0%
Activity: 50.7%
Activity: 50.7% Activity: 50.7% Activity: 50.7%
Last Achievements
Award-Showcase
NMR Credits: 0
NMR Points: 193,617
Downloads: 0
Uploads: 0
Default Local Isotropic Diffusion Approximation for Coupled Internal and Overall Molecular Motions in NMR Spin Relaxation.

Local Isotropic Diffusion Approximation for Coupled Internal and Overall Molecular Motions in NMR Spin Relaxation.

Related Articles Local Isotropic Diffusion Approximation for Coupled Internal and Overall Molecular Motions in NMR Spin Relaxation.

J Phys Chem B. 2014 Aug 28;

Authors: Gill ML, Palmer AG

Abstract
The present work demonstrates that NMR spin relaxation rate constants for molecules interconverting between states with different diffusion tensors can be modeled theoretically by combining orientational correlation functions for exchanging spherical molecules with locally isotropic approximations for the diffusion anisotropic tensors. The resulting expressions are validated by comparison with correlation functions obtained by Monte Carlo simulations and are accurate for moderate degrees of diffusion anisotropy typically encountered in investigations of globular proteins. The results are complementary to an elegant, but more complex, formalism that is accurate for all degrees of diffusion anisotropy [Y. Ryabov, G. M. Clore, and C. D. Schwieters, J. Chem. Phys. 136, 034108 (2012)].


PMID: 25167331 [PubMed - as supplied by publisher]



More...
Reply With Quote


Did you find this post helpful? Yes | No

Reply
Similar Threads
Thread Thread Starter Forum Replies Last Post
[NMR paper] NMR Relaxation in Proteins with Fast Internal Motions and Slow Conformational Exchange: Model Free Framework and Markov State Simulations.
NMR Relaxation in Proteins with Fast Internal Motions and Slow Conformational Exchange: Model Free Framework and Markov State Simulations. NMR Relaxation in Proteins with Fast Internal Motions and Slow Conformational Exchange: Model Free Framework and Markov State Simulations. J Phys Chem B. 2013 May 2; Authors: Xia J, Deng NJ, Levy RM Abstract Calculating NMR relaxation effects for proteins with dynamics on multiple timescales generally requires very long trajectories based on conventional molecular dynamics simulations. In this report,...
nmrlearner Journal club 0 05-04-2013 09:18 PM
Spin-Transfer Pathwaysin Paramagnetic Lithium Transition-MetalPhosphates from Combined Broadband Isotropic Solid-State MAS NMR Spectroscopyand DFT Calculations
Spin-Transfer Pathwaysin Paramagnetic Lithium Transition-MetalPhosphates from Combined Broadband Isotropic Solid-State MAS NMR Spectroscopyand DFT Calculations Raphae?le J. Cle?ment, Andrew J. Pell, Derek S. Middlemiss, Fiona C. Strobridge, Joel K. Miller, M. Stanley Whittingham, Lyndon Emsley, Clare P. Grey and Guido Pintacuda http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja306876u/aop/images/medium/ja-2012-06876u_0007.gif Journal of the American Chemical Society DOI: 10.1021/ja306876u...
nmrlearner Journal club 0 10-10-2012 03:14 PM
The description of protein internal motions aids selection of ligand binding poses by the INPHARMA method
The description of protein internal motions aids selection of ligand binding poses by the INPHARMA method Abstract Protein internal motions influence observables of NMR experiments. The effect of internal motions occurring at the sub-nanosecond timescale can be described by NMR order parameters. Here, we report that the use of order parameters derived from Molecular Dynamics (MD) simulations of two holo-structures of Protein Kinase A increase the discrimination power of INPHARMA, an NMR based methodology that selects docked ligand orientations by maximizing the correlation of...
nmrlearner Journal club 0 09-24-2012 01:02 AM
Nuclear spin relaxation in isotropic and anisotropic media
Nuclear spin relaxation in isotropic and anisotropic media Publication year: 2010 Source:Progress in Nuclear Magnetic Resonance Spectroscopy, Volume 57, Issue 2</br> Matthew P. Nicholas, Ertan Eryilmaz, Fabien Ferrage, David Cowburn, Ranajeet Ghose</br> </br> </br></br>
nmrlearner Journal club 0 03-09-2012 09:16 AM
[NMR tweet] Nuclear Spin Relaxation in Liquids: Nuclear Spin Relaxation in LiquidsNuclear magnetic resonance (NMR) is wide... http://bit.ly/hDdW99
Nuclear Spin Relaxation in Liquids: Nuclear Spin Relaxation in LiquidsNuclear magnetic resonance (NMR) is wide... http://bit.ly/hDdW99 Published by booksvariety (BooksVariety.com) on 2010-12-04T23:02:54Z Source: Twitter
nmrlearner Twitter NMR 0 12-04-2010 11:36 PM
[NMR paper] Characterization of the internal motions of a chimeric protein by 13C NMR highlights
Characterization of the internal motions of a chimeric protein by 13C NMR highlights the important dynamic consequences of the engineering on a millisecond time scale. Related Articles Characterization of the internal motions of a chimeric protein by 13C NMR highlights the important dynamic consequences of the engineering on a millisecond time scale. Eur J Biochem. 2000 Nov;267(22):6519-33 Authors: Wolff N, Guenneugues M, Gilquin B, Drakopoulou E, Vita C, Ménez A, Zinn-Justin S By transferring the central curaremimetic beta hairpin of the...
nmrlearner Journal club 0 11-19-2010 08:29 PM
[NMR paper] Internal motions of apo-neocarzinostatin as studied by 13C NMR methine relaxation at
Internal motions of apo-neocarzinostatin as studied by 13C NMR methine relaxation at natural abundance. Related Articles Internal motions of apo-neocarzinostatin as studied by 13C NMR methine relaxation at natural abundance. J Biomol NMR. 1995 Apr;5(3):233-44 Authors: Mispelter J, Lefèvre C, Adjadj E, Quiniou E, Favaudon V Dynamics of the backbone and some side chains of apo-neocarzinostatin, a 10.7 kDa carrier protein, have been studied from 13C relaxation rates R1, R2 and steady-state 13C-(1H) NOEs, measured at natural abundance. Relaxation...
nmrlearner Journal club 0 08-22-2010 03:41 AM
Nuclear Spin Relaxation in Isotropic and Anisotropic Media
Nuclear Spin Relaxation in Isotropic and Anisotropic Media Publication year: 2010 Source: Progress in Nuclear Magnetic Resonance Spectroscopy, In Press, Accepted Manuscript, Available online 29 April 2010</br> Matthew P., Nicholas , Ertan, Eryilmaz , Fabien, Ferrage , David, Cowburn , Ranajeet, Ghose</br> We present a unified framework to describe nuclear spin relaxation in isotropic and anisotropic solutions for single-domain diffusers. All expressions, diffusion and net spin-relaxation theory are derived ab initio. Complete analytical expressions are provided wherever...
nmrlearner Journal club 0 08-16-2010 03:50 AM


Thread Tools Search this Thread
Search this Thread:

Advanced Search
Display Modes Rate This Thread
Rate This Thread:

Posting Rules
You may not post new threads
You may not post replies
You may not post attachments
You may not edit your posts

BB code is On
Smilies are On
[IMG] code is On
HTML code is On
Trackbacks are Off
Pingbacks are Off
Refbacks are Off



BioNMR advertisements to pay for website hosting and domain registration. Nobody does it for us.



Powered by vBulletin® Version 3.7.3
Copyright ©2000 - 2020, Jelsoft Enterprises Ltd.
Copyright, BioNMR.com, 2003-2013
Search Engine Friendly URLs by vBSEO 3.6.0

All times are GMT. The time now is 03:14 PM.


Map