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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 Effect of heavy atoms on photochemically induced dynamic nuclear polarization in liquids
From The DNP-NMR Blog: Effect of heavy atoms on photochemically induced dynamic nuclear polarization in liquids Okuno, Y. and S. Cavagnero, Effect of heavy atoms on photochemically induced dynamic nuclear polarization in liquids. Journal of Magnetic Resonance, 2018. 286: p. 172-187. http://www.sciencedirect.com/science/article/pii/S1090780717302938
nmrlearner
Today 02:15 AM
by nmrlearner Go to last post
0 6 News from NMR blogs
Go to first new post [NMR paper] Production of isotope-labeled proteins in insect cells for NMR.
Production of isotope-labeled proteins in insect cells for NMR. Related Articles Production of isotope-labeled proteins in insect cells for NMR. J Biomol NMR. 2018 Apr 23;: Authors: Franke B, Opitz C, Isogai S, Grahl A, Delgado L, Gossert AD, Grzesiek S Abstract Baculovirus-infected insect cells have become a powerful tool to express recombinant proteins for structural and functional studies by NMR spectroscopy. This article provides an introduction into the insect cell/baculovirus expression system and its use for the production...
nmrlearner
Today 02:15 AM
by nmrlearner Go to last post
0 8 Journal club
Go to first new post [NMR paper] Hydration-Dependent Dynamical Modes in Xyloglucan from Molecular Dynamics Simulation of 13C NMR Relaxation Times and their Distributions.
Hydration-Dependent Dynamical Modes in Xyloglucan from Molecular Dynamics Simulation of 13C NMR Relaxation Times and their Distributions. Related Articles Hydration-Dependent Dynamical Modes in Xyloglucan from Molecular Dynamics Simulation of 13C NMR Relaxation Times and their Distributions. Biomacromolecules. 2018 Apr 24;: Authors: Chen P, Terenzi C, Furo I, Berglund LA, Wohlert J Abstract Macromolecular dynamics in biological systems, which play a crucial role for biomolecular function and activity at ambient temperature,...
nmrlearner
Today 02:15 AM
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0 8 Journal club
Go to first new post Solid-state MAS NMR resonance assignment methods for proteins
Solid-state MAS NMR resonance assignment methods for proteins Publication date: Available online 25 April 2018 Source:Progress in Nuclear Magnetic Resonance Spectroscopy</br> Author(s): Victoria A. Higman</br> The prerequisite to structural or functional studies of proteins by NMR is generally the assignment of resonances. Since the first assignment of proteins by solid-state MAS NMR was conducted almost two decades ago, a wide variety of different pulse sequences and methods have been proposed and continue to be developed. Traditionally, a variety of 2D and 3D...
nmrlearner
Today 02:15 AM
by nmrlearner Go to last post
0 8 Journal club
Go to first new post [ASAP] Improved Method for the Incorporation of Heme Cofactors into Recombinant Proteins Using Escherichia coli Nissle 1917
Improved Method for the Incorporation of Heme Cofactors into Recombinant Proteins Using Escherichia coli Nissle 1917 https://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.8b00242/20180425/images/medium/bi-2018-00242b_0009.gif Biochemistry DOI: 10.1021/acs.biochem.8b00242 http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/bichaw/~4/xEMFb1XNf30 More...
nmrlearner
Today 02:15 AM
by nmrlearner Go to last post
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