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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 Today, 04:30 AM
Replies: 0
Views: 41
Posted By nmrlearner
Integrated transcriptome and (1)H NMR-based metabolome to explore the potential mechanism of Spodoptera litura in response to flupyrimin

Integrated transcriptome and (1)H NMR-based metabolome to explore the potential mechanism of Spodoptera litura in response to flupyrimin...
Forum: Online News Yesterday, 01:20 AM
Replies: 0
Views: 19
Posted By nmrlearner
Enhanced picture of protein-folding intermediates using organic solvents in H/D exchange and quench-flow experiments - pnas.org

Enhanced picture of protein-folding intermediates using organic solvents in H/D exchange and quench-flow experiments - pnas.org

Enhanced picture of protein-folding intermediates using organic...
Forum: Online News 10-29-2024, 10:42 AM
Replies: 0
Views: 29
Posted By nmrlearner
Secondary and Tertiary Structural Effects on Protein NMR Chemical Shifts: an ab Initio Approach - Science

Secondary and Tertiary Structural Effects on Protein NMR Chemical Shifts: an ab Initio Approach - Science

Secondary and Tertiary Structural Effects on Protein NMR Chemical Shifts: an ab Initio...
Forum: Journal club 10-28-2024, 10:30 PM
Replies: 0
Views: 29
Posted By nmrlearner
A Closed-Form Expression for Analysis of Dark State Exchange Saturation Transfer (DEST) NMR Experiments

A Closed-Form Expression for Analysis of Dark State Exchange Saturation Transfer (DEST) NMR Experiments...
Forum: Journal club 10-28-2024, 10:30 PM
Replies: 0
Views: 138
Posted By nmrlearner
Fluorine Labeling and 19F NMR Spectroscopy to Study Biological Molecules and Molecular Complexes

Fluorine Labeling and 19F NMR Spectroscopy to Study Biological Molecules and Molecular Complexes...
Forum: Journal club 10-28-2024, 10:20 AM
Replies: 0
Views: 58
Posted By nmrlearner
The conformational equilibria of a human GPCR compared between lipid vesicles and aqueous solutions by integrative (19F) -NMR

The conformational equilibria of a human GPCR compared between lipid vesicles and aqueous solutions by integrative (19F) -NMR...
Forum: Journal club 10-26-2024, 11:30 PM
Replies: 0
Views: 114
Posted By nmrlearner
Plastocyanin and Cytochrome f Complex Structures Obtained by NMR, Molecular Dynamics, and AlphaFold 3 Methods Compared to Cryo-EM Data

Plastocyanin and Cytochrome f Complex Structures Obtained by NMR, Molecular Dynamics, and AlphaFold 3 Methods Compared to Cryo-EM Data...
Forum: Journal club 10-26-2024, 08:05 AM
Replies: 0
Views: 67
Posted By nmrlearner
Platinum-Metformin Conjugates Acting as Promising PD-L1 Inhibitors through the AMP-Activated Protein Kinase Mediated Lysosomal Degradation Pathway

Platinum-Metformin Conjugates Acting as Promising PD-L1 Inhibitors through the AMP-Activated Protein Kinase Mediated Lysosomal Degradation Pathway...
Forum: Journal club 10-25-2024, 07:12 AM
Replies: 0
Views: 92
Posted By nmrlearner
NMR residual dipolar couplings investigation in the topology of house dust mite Group V allergens

NMR residual dipolar couplings investigation in the topology of house dust mite Group V allergens...
Forum: Online News 10-25-2024, 07:12 AM
Replies: 0
Views: 26
Posted By nmrlearner
Differential dynamics in the G protein-coupled receptor rhodopsin revealed by solution NMR - pnas.org

Differential dynamics in the G protein-coupled receptor rhodopsin revealed by solution NMR - pnas.org

Differential dynamics in the G protein-coupled receptor rhodopsin revealed by solution NMR...
Forum: Online News 10-25-2024, 07:12 AM
Replies: 0
Views: 20
Posted By nmrlearner
Topological Heterogeneity of Protein Kinase C Modulators in Human T-Cells Resolved with In-Cell Dynamic Nuclear Polarization NMR Spectroscopy - ACS Publications

Topological Heterogeneity of Protein Kinase C Modulators in Human T-Cells Resolved with In-Cell Dynamic Nuclear Polarization NMR Spectroscopy - ACS Publications

Topological Heterogeneity of...
Forum: Online News 10-24-2024, 07:08 PM
Replies: 0
Views: 23
Posted By nmrlearner
Efficient and economic protein labeling for NMR in mammalian expression systems: Application to a preT-cell and T-cell receptor protein - Wiley Online Library

Efficient and economic protein labeling for NMR in mammalian expression systems: Application to a preT-cell and T-cell receptor protein - Wiley Online Library

Efficient and economic protein...
Forum: Journal club 10-23-2024, 09:31 PM
Replies: 0
Views: 126
Posted By nmrlearner
Integrating (19)F Distance Restraints for Accurate Protein Structure Determination by Magic Angle Spinning NMR Spectroscopy

Integrating (19)F Distance Restraints for Accurate Protein Structure Determination by Magic Angle Spinning NMR Spectroscopy...
Forum: Online News 10-23-2024, 09:30 AM
Replies: 0
Views: 19
Posted By nmrlearner
Detection of Metabolite–Protein Interactions in Complex Biological Samples by High-Resolution Relaxometry: Toward Interactomics by NMR - ACS Publications

Detection of Metabolite–Protein Interactions in Complex Biological Samples by High-Resolution Relaxometry: Toward Interactomics by NMR - ACS Publications

Detection of Metabolite–Protein...
Forum: Online News 10-22-2024, 09:30 AM
Replies: 0
Views: 35
Posted By nmrlearner
Enhanced-sensitivity NMR could reveal new clues to how proteins fold - Phys.org

Enhanced-sensitivity NMR could reveal new clues to how proteins fold - Phys.org

Enhanced-sensitivity NMR could reveal new clues to how proteins fold...
Forum: Journal club 10-21-2024, 09:30 PM
Replies: 0
Views: 47
Posted By nmrlearner
Perspective: on the importance of extensive, high-quality and reliable deposition of biomolecular NMR data in the age of artificial intelligence

Perspective: on the importance of extensive, high-quality and reliable deposition of biomolecular NMR data in the age of artificial intelligence...
Forum: Journal club 10-21-2024, 09:30 PM
Replies: 0
Views: 40
Posted By nmrlearner
Aspartic Acid Binding on Hydroxyapatite Nanoparticles with Varying Morphologies Investigated by Solid-State NMR Spectroscopy and Molecular Dynamics Simulation

Aspartic Acid Binding on Hydroxyapatite Nanoparticles with Varying Morphologies Investigated by Solid-State NMR Spectroscopy and Molecular Dynamics Simulation...
Forum: Journal club 10-21-2024, 09:30 PM
Replies: 0
Views: 201
Posted By nmrlearner
Perspective: on the importance of extensive, high-quality and reliable deposition of biomolecular NMR data in the age of artificial intelligence

Perspective: on the importance of extensive, high-quality and reliable deposition of biomolecular NMR data in the age of artificial intelligence (http://link.springer.com/10.1007/s10858-024-00451-w)...
Forum: Online News 10-21-2024, 09:18 AM
Replies: 0
Views: 37
Posted By nmrlearner
Protein Carbon-13 Spin Systems by a Single Two-Dimensional Nuclear Magnetic Resonance Experiment - Science

Protein Carbon-13 Spin Systems by a Single Two-Dimensional Nuclear Magnetic Resonance Experiment - Science

Protein Carbon-13 Spin Systems by a Single Two-Dimensional Nuclear Magnetic Resonance...
Forum: Online News 10-20-2024, 08:59 PM
Replies: 0
Views: 40
Posted By nmrlearner
Use of Water Proton NMR to Characterize Protein Aggregates: Gauging the Response and Sensitivity - ACS Publications

Use of Water Proton NMR to Characterize Protein Aggregates: Gauging the Response and Sensitivity - ACS Publications

Use of Water Proton NMR to Characterize Protein Aggregates: Gauging the Response...
Forum: Online News 10-20-2024, 08:22 AM
Replies: 0
Views: 27
Posted By nmrlearner
Backbone assignment of perdeuterated proteins by solid-state NMR using proton detection and ultrafast magic-angle spinning - Nature.com

Backbone assignment of perdeuterated proteins by solid-state NMR using proton detection and ultrafast magic-angle spinning - Nature.com

Backbone assignment of perdeuterated proteins by solid-state...
Forum: Online News 10-19-2024, 10:15 AM
Replies: 0
Views: 45
Posted By nmrlearner
Hierarchy of the Components in Spray-Dried, Protein-Excipient Particles Using DNP-Enhanced NMR Spectroscopy - ACS Publications

Hierarchy of the Components in Spray-Dried, Protein-Excipient Particles Using DNP-Enhanced NMR Spectroscopy - ACS Publications

Hierarchy of the Components in Spray-Dried, Protein-Excipient...
Forum: Online News 10-19-2024, 10:15 AM
Replies: 0
Views: 52
Posted By nmrlearner
Analyzing paramagnetic NMR data on target DNA search by proteins using a discrete-state kinetic model for translocation - Wiley Online Library

Analyzing paramagnetic NMR data on target DNA search by proteins using a discrete-state kinetic model for translocation - Wiley Online Library

Analyzing paramagnetic NMR data on target DNA search...
Forum: Journal club 10-17-2024, 06:23 PM
Replies: 0
Views: 99
Posted By nmrlearner
(19)F NMR relaxation of buried tryptophan side chains suggest anisotropic rotational diffusion of the protein RfaH

(19)F NMR relaxation of buried tryptophan side chains suggest anisotropic rotational diffusion of the protein RfaH...
Forum: Journal club 10-17-2024, 06:23 PM
Replies: 0
Views: 326
Posted By nmrlearner
Investigate the metabolic changes in intestinal diseases by employing a (1)H-NMR-based metabolomics approach on Caco-2 cells treated with cedrol

Investigate the metabolic changes in intestinal diseases by employing a (1)H-NMR-based metabolomics approach on Caco-2 cells treated with cedrol...
Showing results 1 to 25 of 500

 
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