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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

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Go to first new post [NMR] NMR Symposium at the 255th ACS meeting in New Orleans, March 18-22, 2018
From The DNP-NMR Blog: NMR Symposium at the 255th ACS meeting in New Orleans, March 18-22, 2018 Dear Colleagues, Susannah Scott, Nancy Washton, and I are organizing a magnetic resonance symposium in the Division of Catalysis Science and Technology (CATL) at the 255th ACS meeting in New Orleans which will take place between March 18th and 22nd. The symposium is titled: "New Techniques and Applications of Magnetic Resonance Methods in Heterogeneous Catalysis" and will focus on the development and application of NMR/EPR methods for studying heterogeneous catalysts and catalytic...
nmrlearner
Yesterday 10:47 PM
by nmrlearner Go to last post
0 2 News from NMR blogs
Go to first new post [NMR paper] Interrogating membrane protein conformational dynamics within native lipid compositions
Interrogating membrane protein conformational dynamics within native lipid compositions Membrane protein-lipid interplay is important for cellular function, however, tools enabling the interrogation of protein dynamics within native lipid environments are scarce and often invasive. We establish that the styrene-maleic acid anhydride lipid particle (SMALP) technology can be coupled with hydrogen-deuterium exchange mass spectrometry (HDX-MS) to investigate membrane protein conformational dynamics within native lipid bilayers. We demonstrate changes in accessibility and dynamics of the...
nmrlearner
Yesterday 10:47 PM
by nmrlearner Go to last post
0 1 Journal club
Go to first new post [NMR paper] NMR-Based Lipid Profiling of High Density Lipoprotein Particles in Healthy Subjects with Low, Normal, and Elevated HDL-Cholesterol.
NMR-Based Lipid Profiling of High Density Lipoprotein Particles in Healthy Subjects with Low, Normal, and Elevated HDL-Cholesterol. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles NMR-Based Lipid Profiling of High Density Lipoprotein Particles in Healthy Subjects with Low, Normal, and Elevated HDL-Cholesterol. J Proteome Res. 2017 Apr 07;16(4):1605-1616 Authors: Kostara CE, Tsimihodimos V, Elisaf MS, Bairaktari ET Abstract Recent studies suggest that...
nmrlearner
Yesterday 10:47 PM
by nmrlearner Go to last post
0 1 Journal club
Go to first new post [NMR paper] Insights into co-translational membrane protein insertion by combined LILBID-mass spectrometry and NMR spectroscopy.
Insights into co-translational membrane protein insertion by combined LILBID-mass spectrometry and NMR spectroscopy. Related Articles Insights into co-translational membrane protein insertion by combined LILBID-mass spectrometry and NMR spectroscopy. Anal Chem. 2017 Oct 17;: Authors: Peetz O, Henrich E, Laguerre A, L?hr F, Hein C, Dötsch V, Bernhard F, Morgner N Abstract Co-translational insertion of membrane proteins into defined nanoparticle membranes has been developed as an efficient process to produce highly soluble samples...
nmrlearner
Yesterday 10:47 PM
by nmrlearner Go to last post
0 1 Journal club
Go to first new post [NMR paper] Comprehensive analysis of NMR data using advanced line shape fitting.
Comprehensive analysis of NMR data using advanced line shape fitting. Related Articles Comprehensive analysis of NMR data using advanced line shape fitting. J Biomol NMR. 2017 Oct 17;: Authors: Niklasson M, Otten R, Ahlner A, Andresen C, Schlagnitweit J, Petzold K, Lundström P Abstract NMR spectroscopy is uniquely suited for atomic resolution studies of biomolecules such as proteins, nucleic acids and metabolites, since detailed information on structure and dynamics are encoded in positions and line shapes of peaks in NMR...
nmrlearner
Yesterday 10:47 PM
by nmrlearner Go to last post
0 1 Journal club
Go to first new post [NMR paper] Comparison of NMR and crystal structures of membrane proteins and computational refinement to improve model quality.
Comparison of NMR and crystal structures of membrane proteins and computational refinement to improve model quality. Related Articles Comparison of NMR and crystal structures of membrane proteins and computational refinement to improve model quality. Proteins. 2017 Oct 16;: Authors: Koehler Leman J, D'Avino AR, Bhatnagar Y, Gray JJ Abstract Membrane proteins are challenging to study and restraints for structure determination are typically sparse or of low resolution because the membrane environment that surrounds them leads to a...
nmrlearner
Yesterday 10:47 PM
by nmrlearner Go to last post
0 1 Journal club
Go to first new post [NMR] Postodoctoral position available in solid-state NMR and DNP in Grenoble #DNPNMR
From The DNP-NMR Blog: Postodoctoral position available in solid-state NMR and DNP in Grenoble #DNPNMR Postdoctoral Position available in solid-state NMR and DNP in Grenoble (France) ssNMR and DNP investigation of bacterial cell-wall In this project innovative spectroscopic approaches including solid-state NMR and MAS-DNP will be developed and conducted to investigate the cell wall of mycobacteria and more specifically the role of key peptidoglycan cross-linking enzymes.
nmrlearner
Yesterday 08:03 AM
by nmrlearner Go to last post
0 4 News from NMR blogs
Go to first new post Purification and Characterization of RhoPDE, a Retinylidene/PhosphodiesteraseFusion Protein and Potential Optogenetic Tool from the Choanoflagellate Salpingoeca rosetta
Purification and Characterization of RhoPDE, a Retinylidene/PhosphodiesteraseFusion Protein and Potential Optogenetic Tool from the Choanoflagellate Salpingoeca rosetta http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.7b00519/20171018/images/medium/bi-2017-00519g_0011.gif Biochemistry DOI: 10.1021/acs.biochem.7b00519 http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/bichaw/~4/-BPalALgZrE More...
nmrlearner
Yesterday 08:03 AM
by nmrlearner Go to last post
0 5 Journal club
Go to first new post A Fluorescent Probe with Improved Water SolubilityPermits the Analysis of Protein S-DepalmitoylationActivity in Live Cells
A Fluorescent Probe with Improved Water SolubilityPermits the Analysis of Protein S-DepalmitoylationActivity in Live Cells http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.7b00835/20171018/images/medium/bi-2017-00835x_0005.gif Biochemistry DOI: 10.1021/acs.biochem.7b00835 http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/bichaw/~4/D_OdeXwPKoc More...
nmrlearner
Yesterday 08:03 AM
by nmrlearner Go to last post
0 4 Journal club
Go to first new post Fusion of a New World Alphavirus with Membrane MicrodomainsInvolving Partially Reversible Conformational Changes in the ViralSpike Proteins
Fusion of a New World Alphavirus with Membrane MicrodomainsInvolving Partially Reversible Conformational Changes in the ViralSpike Proteins http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.7b00650/20171018/images/medium/bi-2017-00650r_0006.gif Biochemistry DOI: 10.1021/acs.biochem.7b00650 http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/bichaw/~4/Zx5uCbAse_U More...
nmrlearner
Yesterday 08:03 AM
by nmrlearner Go to last post
0 3 Journal club
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