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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 25 of 500
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Search: Posts Made By: nmrlearner
Forum: Journal club 07-13-2020, 01:56 AM
Replies: 0
Views: 5
Posted By nmrlearner
The precious fluorine on the ring: fluorine NMR for biological systems.

The precious fluorine on the ring: fluorine NMR for biological systems. (https://www.ncbi.nlm.nih.gov/pubmed/32651751?dopt=Abstract)
...
Forum: Journal club 07-13-2020, 01:56 AM
Replies: 0
Views: 6
Posted By nmrlearner
Impact of 5-formylcytosine on the melting kinetics of DNA by 1H NMR chemical exchange.

Impact of 5-formylcytosine on the melting kinetics of DNA by 1H NMR chemical exchange. (https://www.ncbi.nlm.nih.gov/pubmed/32652019?dopt=Abstract)
...
Forum: Journal club 07-11-2020, 03:34 PM
Replies: 0
Views: 8
Posted By nmrlearner
Enzymatically Formed Peptide Assemblies Sequestrate Proteins and Relocate Inhibitors to Selectively Kill Cancer Cells

Enzymatically Formed Peptide Assemblies Sequestrate Proteins and Relocate Inhibitors to Selectively Kill Cancer Cells (https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202006290?af=R)

...
Forum: Journal club 07-11-2020, 03:34 PM
Replies: 0
Views: 21
Posted By nmrlearner
On the complementarity of X-ray and NMR data.

On the complementarity of X-ray and NMR data. (https://www.ncbi.nlm.nih.gov/pubmed/32647823?dopt=Abstract)

Related Articles...
Forum: Journal club 07-10-2020, 08:40 PM
Replies: 0
Views: 10
Posted By nmrlearner
Cellular Synthesis and X-ray Crystal Structure of a Designed Protein Heterocatenane

Cellular Synthesis and X-ray Crystal Structure of a Designed Protein Heterocatenane (https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.202005490?af=R)


Angewandte Chemie International Edition,...
Forum: Journal club 07-10-2020, 08:40 PM
Replies: 0
Views: 10
Posted By nmrlearner
1H NMR-Based Metabolomics Coupled With Molecular Docking Reveal the Anti-Diabetic Effects and Potential Active Components of Berberis vernae on Type 2 Diabetic Rats.

1H NMR-Based Metabolomics Coupled With Molecular Docking Reveal the Anti-Diabetic Effects and Potential Active Components of Berberis vernae on Type 2 Diabetic Rats....
Forum: Journal club 07-10-2020, 08:40 PM
Replies: 0
Views: 10
Posted By nmrlearner
When Less Is More: Combining Site-Specific Isotope Labeling and NMR Unravels Structural Details of Huntingtin Repeats.

When Less Is More: Combining Site-Specific Isotope Labeling and NMR Unravels Structural Details of Huntingtin Repeats. (https://www.ncbi.nlm.nih.gov/pubmed/32640252?dopt=Abstract)

Related...
Forum: Online News 07-10-2020, 08:40 PM
Replies: 0
Views: 3
Posted By nmrlearner
Protein Crystallization and Crystallography Market Worth $1.7 Billion by 2025 - Exclusive Report by MarketsandMarkets™ - Press Release - Digital Journal

Protein Crystallization and Crystallography Market Worth $1.7 Billion by 2025 - Exclusive Report by MarketsandMarkets™ - Press Release - Digital Journal

Protein Crystallization and Crystallography...
Forum: Online News 07-10-2020, 08:40 PM
Replies: 0
Views: 3
Posted By nmrlearner
Protein Crystallization & Crystallography Market by Technology, Product & Service, Consumable, End-user, and Region - Global Forecast to 2025 - ResearchAndMarkets.com - Business Wire

Protein Crystallization & Crystallography Market by Technology, Product & Service, Consumable, End-user, and Region - Global Forecast to 2025 - ResearchAndMarkets.com - Business Wire

Protein...
Forum: Journal club 07-10-2020, 08:40 PM
Replies: 0
Views: 22
Posted By nmrlearner
The precious fluorine on the ring: fluorine NMR for biological systems

The precious fluorine on the ring: fluorine NMR for biological systems (http://link.springer.com/10.1007/s10858-020-00331-z)

Abstract

The fluorine-19...
Forum: Journal club 07-08-2020, 05:24 PM
Replies: 0
Views: 14
Posted By nmrlearner
How does the mood stabilizer lithium bind ATP, the energy Earnings of the cell: Insights from solid-state NMR.

How does the mood stabilizer lithium bind ATP, the energy Earnings of the cell: Insights from solid-state NMR. (https://www.ncbi.nlm.nih.gov/pubmed/31678143?dopt=Abstract)
...
Forum: Journal club 07-08-2020, 05:24 PM
Replies: 0
Views: 16
Posted By nmrlearner
In Situ Detection of Endogenous HIV Activation by Dynamic Nuclear Polarization NMR and Flow Cytometry.

In Situ Detection of Endogenous HIV Activation by Dynamic Nuclear Polarization NMR and Flow Cytometry. (https://www.ncbi.nlm.nih.gov/pubmed/32629894?dopt=Abstract)

Related Articles...
Forum: Journal club 07-08-2020, 05:24 PM
Replies: 0
Views: 33
Posted By nmrlearner
Competition NMR for Detection of Hit/Lead Inhibitors of Protein-Protein Interactions.

Competition NMR for Detection of Hit/Lead Inhibitors of Protein-Protein Interactions. (https://www.ncbi.nlm.nih.gov/pubmed/32630327?dopt=Abstract)

Related Articles...
Forum: Journal club 07-08-2020, 03:03 AM
Replies: 0
Views: 10
Posted By nmrlearner
[ASAP] Protein Modifications Critical for Myonectin/Erythroferrone Secretion and Oligomer Assembly

[ASAP] Protein Modifications Critical for Myonectin/Erythroferrone Secretion and Oligomer Assembly (http://feedproxy.google.com/~r/acs/bichaw/~3/yEPI8223n_0/acs.biochem.0c00461)
...
Forum: Online News 07-08-2020, 03:03 AM
Replies: 0
Views: 7
Posted By nmrlearner
A redox-active switch in fructosamine-3-kinases expands the regulatory repertoire of the protein kinase superfamily - Science

A redox-active switch in fructosamine-3-kinases expands the regulatory repertoire of the protein kinase superfamily - Science

A redox-active switch in fructosamine-3-kinases expands the regulatory...
Forum: Journal club 07-08-2020, 03:03 AM
Replies: 0
Views: 16
Posted By nmrlearner
CcpNmr AnalysisScreen, a new software programme with dedicated automated analysis tools for fragment-based drug discovery by NMR

CcpNmr AnalysisScreen, a new software programme with dedicated automated analysis tools for fragment-based drug discovery by NMR (http://link.springer.com/10.1007/s10858-020-00321-1)

...
Forum: Online News 07-06-2020, 10:57 PM
Replies: 0
Views: 8
Posted By nmrlearner
Global Covid-19 impact on Protein Crystallography Market Growth Analysis, Opportunities, Trends, Developments and Forecast | Hampton Research, Molecular Dimensions, PerkinElmer, GE Healthcare, Danaher - 3rd Watch News

Global Covid-19 impact on Protein Crystallography Market Growth Analysis, Opportunities, Trends, Developments and Forecast | Hampton Research, Molecular Dimensions, PerkinElmer, GE Healthcare,...
Forum: Online News 07-06-2020, 10:57 PM
Replies: 0
Views: 5
Posted By nmrlearner
The global protein crystallization and crystallography market is estimated to grow from USD 1.1 billion in 2020 to USD 1.7 billion by 2025, at a CAGR of 8.9% - Salamanca Press

The global protein crystallization and crystallography market is estimated to grow from USD 1.1 billion in 2020 to USD 1.7 billion by 2025, at a CAGR of 8.9% - Salamanca Press

The global protein...
Forum: Journal club 07-06-2020, 10:08 AM
Replies: 0
Views: 13
Posted By nmrlearner
Protein-ligand structure determination with the NMR molecular replacement tool, NMR2.

Protein-ligand structure determination with the NMR molecular replacement tool, NMR2. (https://www.ncbi.nlm.nih.gov/pubmed/32621003?dopt=Abstract)

Related Articles...
Forum: Journal club 07-06-2020, 10:08 AM
Replies: 0
Views: 33
Posted By nmrlearner
NMR pseudocontact shifts in a symmetric protein homotrimer.

NMR pseudocontact shifts in a symmetric protein homotrimer. (https://www.ncbi.nlm.nih.gov/pubmed/32621004?dopt=Abstract)

Related Articles...
Forum: Journal club 07-04-2020, 09:21 PM
Replies: 0
Views: 22
Posted By nmrlearner
Conformational heterogeneity of Savinase from NMR, HDX-MS and X-ray diffraction analysis.

Conformational heterogeneity of Savinase from NMR, HDX-MS and X-ray diffraction analysis. (https://www.ncbi.nlm.nih.gov/pubmed/32617193?dopt=Abstract)

Related Articles...
Forum: Journal club 07-04-2020, 09:21 PM
Replies: 0
Views: 16
Posted By nmrlearner
Quantification of fractional and absolute functionalization of gelatin hydrogels by optimized ninhydrin assay and 1H NMR.

Quantification of fractional and absolute functionalization of gelatin hydrogels by optimized ninhydrin assay and 1H NMR. (https://www.ncbi.nlm.nih.gov/pubmed/32617761?dopt=Abstract)

Related...
Forum: Journal club 07-04-2020, 09:21 PM
Replies: 0
Views: 30
Posted By nmrlearner
Human urine 1H NMR metabolomics reveals alterations of the protein and carbohydrate metabolism when comparing habitual Average Danish diet vs. healthy New Nordic diet.

Human urine 1H NMR metabolomics reveals alterations of the protein and carbohydrate metabolism when comparing habitual Average Danish diet vs. healthy New Nordic diet....
Forum: Journal club 07-04-2020, 03:45 AM
Replies: 0
Views: 23
Posted By nmrlearner
NMR spectroscopy in the conformational analysis of peptides: an overview.

NMR spectroscopy in the conformational analysis of peptides: an overview. (https://www.ncbi.nlm.nih.gov/pubmed/32614739?dopt=Abstract)

Related Articles...
Forum: Online News 07-04-2020, 03:45 AM
Replies: 0
Views: 11
Posted By nmrlearner
The global protein crystallization and crystallography market is estimated to grow from USD 1.1 billion in 2020 to USD 1.7 billion by 2025, at a CAGR of 8.9% - PRNewswire

The global protein crystallization and crystallography market is estimated to grow from USD 1.1 billion in 2020 to USD 1.7 billion by 2025, at a CAGR of 8.9% - PRNewswire

The global protein...
Showing results 1 to 25 of 500

 
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