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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

Showing results 1 to 5 of 5
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Go to first new post Measuring Nano- to Microstructures from Relayed Dynamic Nuclear Polarization NMR #DNPNMR
From The DNP-NMR Blog: Measuring Nano- to Microstructures from Relayed Dynamic Nuclear Polarization NMR #DNPNMR p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Pinon, A.C., et al., Measuring Nano- to Microstructures from Relayed Dynamic Nuclear Polarization NMR. The Journal of Physical Chemistry C, 2017. 121(29): p. 15993-16005. http://dx.doi.org/10.1021/acs.jpcc.7b04438
nmrlearner
Today 02:38 AM
by nmrlearner Go to last post
0 3 News from NMR blogs
Go to first new post [NMR paper] Time-resolved in situ MAS NMR monitoring of the nucleation and growth of zeolite BEA catalysts under hydrothermal conditions
Time-resolved in situ MAS NMR monitoring of the nucleation and growth of zeolite BEA catalysts under hydrothermal conditions Time-resolved 13C, 23Na, 27Al and 29Si MAS NMR has been applied in situ for monitoring the hydrothermal synthesis of zeolite BEA. Isotopic labelling with 29Si and 13C isotopes has been used to follow the fate of silicious species and structure directing agent ((13CH3-CH2)4NOH). Two mechanistic pathways, namely, solution mediated and solid-solid hydrogel rearrangement have been distinguished for two synthesis procedures studied. The mechanisms of structure directing...
nmrlearner
Today 02:38 AM
by nmrlearner Go to last post
0 5 Journal club
Go to first new post [NMR paper] A Discrete-State Kinetics Model for NMR-Based Analysis of Protein Translocation on DNA at Equilibrium.
A Discrete-State Kinetics Model for NMR-Based Analysis of Protein Translocation on DNA at Equilibrium. Related Articles A Discrete-State Kinetics Model for NMR-Based Analysis of Protein Translocation on DNA at Equilibrium. J Phys Chem B. 2017 Sep 19;: Authors: Sahu D, Iwahara J Abstract In the target DNA search process, sequence-specific DNA-binding proteins first nonspecifically bind to DNA and stochastically move from one site to another before reaching their targets. To rigorously assess how the translocation process...
nmrlearner
Today 02:38 AM
by nmrlearner Go to last post
0 6 Journal club
Go to first new post Characterization of the Functional Variance in MbtH-likeProtein Interactions with a Nonribosomal Peptide Synthetase
Characterization of the Functional Variance in MbtH-likeProtein Interactions with a Nonribosomal Peptide Synthetase http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.7b00517/20170920/images/medium/bi-2017-00517a_0009.gif Biochemistry DOI: 10.1021/acs.biochem.7b00517 http://feeds.feedburner.com/~ff/acs/bichaw?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/bichaw/~4/xqmqyv9xwnM More...
nmrlearner
Today 02:38 AM
by nmrlearner Go to last post
0 4 Journal club
Go to first new post [NMR paper] Measurement of amide proton chemical shift anisotropy in perdeuterated proteins using CSA amplification
Measurement of amide proton chemical shift anisotropy in perdeuterated proteins using CSA amplification Publication date: Available online 19 September 2017 Source:Journal of Magnetic Resonance</br> Author(s): Yuwei Ge, Ivan Hung, Xiaoli Liu, Maili Liu, Zhehong Gan, Conggang Li</br> Measuring 1H chemical shift anisotropy (CSA) is useful for probing proton environments and dynamics but remains a challenge due to strong homonuclear interaction and relatively small shift anisotropy, especially in proteins with multiple proton sites. Here the extended...
nmrlearner
Today 02:38 AM
by nmrlearner Go to last post
0 4 Journal club
Showing results 1 to 5 of 5

 
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