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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 paper] (19)F NMR-Guided Design of Glycomimetic Langerin Ligands.
(19)F NMR-Guided Design of Glycomimetic Langerin Ligands. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles (19)F NMR-Guided Design of Glycomimetic Langerin Ligands. ACS Chem Biol. 2016 Sep 16;11(9):2407-13 Authors: Wamhoff EC, Hanske J, Schnirch L, Aretz J, Grube M, Varón Silva D, Rademacher C Abstract C-type lectin receptors (CLRs) play a pivotal role in pathogen defense and immune homeostasis. Langerin, a CLR predominantly expressed on Langerhans...
nmrlearner
Yesterday 05:28 PM
by nmrlearner Go to last post
0 2 Journal club
Go to first new post [NMR paper] Molecular Modelling of Biomolecules by Paramagnetic NMR and Computational Hybrid Methods.
Molecular Modelling of Biomolecules by Paramagnetic NMR and Computational Hybrid Methods. Related Articles Molecular Modelling of Biomolecules by Paramagnetic NMR and Computational Hybrid Methods. Biochim Biophys Acta. 2017 Jun 22;: Authors: Pilla KB, Gaalswyk K, MacCallum JL Abstract The 3D atomic structures of biomolecules and their complexes are key to our understanding of biomolecular function, recognition, and mechanism. However, it is often difficult to obtain structures, particularly for systems that are complex, dynamic,...
nmrlearner
Yesterday 05:28 PM
by nmrlearner Go to last post
0 2 Journal club
Go to first new post [NMR paper] Protein-Glycan Quinary Interactions in Crowding Environment Unveiled by NMR Spectroscopy.
Protein-Glycan Quinary Interactions in Crowding Environment Unveiled by NMR Spectroscopy. Related Articles Protein-Glycan Quinary Interactions in Crowding Environment Unveiled by NMR Spectroscopy. Chemistry. 2017 Jun 25;: Authors: Diniz A, S Dias J, Jiménez-Barbero J, Marcelo F, Cabrita EJ Abstract Protein-glycan interactions as modulators for quinary structure in crowding environments were explored. The interaction between human galectin 3 (Gal-3) and distinct macromolecular crowders, such as bovine and human serum albumin (BSA...
nmrlearner
Yesterday 05:28 PM
by nmrlearner Go to last post
0 1 Journal club
Go to first new post Mechanismof Phenol Alkylation in Zeolite H-BEAUsing In Situ Solid-State NMR Spectroscopy
Mechanismof Phenol Alkylation in Zeolite H-BEAUsing In Situ Solid-State NMR Spectroscopy Zhenchao Zhao, Hui Shi, Chuan Wan, Mary Y. Hu, Yuanshuai Liu, Donghai Mei, Donald M. Camaioni, Jian Zhi Hu and Johannes A. Lercher http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/jacs.7b02153/20170626/images/medium/ja-2017-02153d_0008.gif Journal of the American Chemical Society DOI: 10.1021/jacs.7b02153 http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/hNP5axK2lyc
nmrlearner
Yesterday 05:28 PM
by nmrlearner Go to last post
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