[ASAP] Fully Automated Characterization of Protein–Peptide Binding by Microfluidic 2D NMR

		BioNMR > Educational resources > Journal club
[ASAP] Fully Automated Characterization of Protein–Peptide Binding by Microfluidic 2D NMR

Webservers

NMR processing:

MDD

NMR assignment:

Backbone:

Side-chains:

NOEs:

Structure from NMR restraints:

Ab initio:

Fragment-based:

Rosetta-NMR (Robetta)

Template-based:

GeNMR

I-TASSER

Refinement:

Amber

Structure from chemical shifts:

Fragment-based:

Homology-based:

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:

NMR model quality:

NOEs, other restraints:

Chemical shifts:

RDCs:

Pseudocontact shifts:

Protein geomtery:

SAVES2 or SAVES4

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:

Isotope labeling:

Solid-state NMR:

Thread Tools

Search this Thread

Rate Thread

Display Modes

02-01-2023, 06:19 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,732

Points: 193,617, Level: 100

Level up: 0%, 0 Points needed

Activity: 50.7%

Last Achievements

Award-Showcase

NMR Credits: 0

NMR Points: 193,617

Downloads: 0

Uploads: 0

[ASAP] Fully Automated Characterization of Protein–Peptide Binding by Microfluidic 2D NMR

[ASAP] Fully Automated Characterization of Protein–Peptide Binding by Microfluidic 2D NMR

Marek Plata, Manvendra Sharma, Marcel Utz, and Jo?rn M. Werner

Journal of the American Chemical Society
DOI: 10.1021/jacs.2c13052

Source: Journal of the American Chemical Society

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
[ASAP] Identification of a Potential Inhibitor of the FIV p24 Capsid Protein and Characterization of Its Binding Site Identification of a Potential Inhibitor of the FIV p24 Capsid Protein and Characterization of Its Binding Site https://pubs.acs.org/na101/home/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.1c00228/20210605/images/medium/bi1c00228_0010.gif Biochemistry DOI: 10.1021/acs.biochem.1c00228 http://feeds.feedburner.com/~r/acs/bichaw/~4/eGtIJIGPH4I More...	nmrlearner	Journal club	0	06-06-2021 04:36 AM
[ASAP] Structural Elucidation of Peptide Binding to KLHL-12, a Substrate Specific Adapter Protein in a Cul3-Ring E3 Ligase Complex Structural Elucidation of Peptide Binding to KLHL-12, a Substrate Specific Adapter Protein in a Cul3-Ring E3 Ligase Complex https://pubs.acs.org/na101/home/literatum/publisher/achs/journals/content/bichaw/0/bichaw.ahead-of-print/acs.biochem.9b01073/20200216/images/medium/bi9b01073_0004.gif Biochemistry DOI: 10.1021/acs.biochem.9b01073 http://feeds.feedburner.com/~r/acs/bichaw/~4/9uJdixEmET4 More...	nmrlearner	Journal club	0	02-29-2020 09:52 PM
[NMR paper] Fast and Efficient Fragment-Based Lead Generation by Fully Automated Processing and Analysis of Ligand-Observed NMR Binding Data. Fast and Efficient Fragment-Based Lead Generation by Fully Automated Processing and Analysis of Ligand-Observed NMR Binding Data. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--pubs.acs.org-images-pubmed-acspubs.jpg Related Articles Fast and Efficient Fragment-Based Lead Generation by Fully Automated Processing and Analysis of Ligand-Observed NMR Binding Data. J Med Chem. 2016 Apr 14;59(7):3303-10 Authors: Peng C, Frommlet A, Perez M, Cobas C, Blechschmidt A, Dominguez S, Lingel A Abstract NMR...	nmrlearner	Journal club	0	09-28-2016 06:22 PM
Blind Testing of Routine, Fully Automated Determination of Protein Structures from NMR Data Blind Testing of Routine, Fully Automated Determination of Protein Structures from NMR Data 8 February 2012 Publication year: 2012 Source:Structure, Volume 20, Issue 2</br> </br> The protocols currently used for protein structure determination by nuclear magnetic resonance (NMR) depend on the determination of a large number of upper distance limits for proton-proton pairs. Typically, this task is performed manually by an experienced researcher rather than automatically by using a specific computer program. To assess whether it is indeed possible to generate in a fully...	nmrlearner	Journal club	0	02-03-2013 10:13 AM
[NMR paper] Peptide hormone binding to G-protein-coupled receptors: structural characterization v Peptide hormone binding to G-protein-coupled receptors: structural characterization via NMR techniques. Related Articles Peptide hormone binding to G-protein-coupled receptors: structural characterization via NMR techniques. Med Res Rev. 2001 Sep;21(5):450-71 Authors: Mierke DF, Giragossian C G-protein-coupled receptors (GPCRs) allow cells to respond to calcium, hormones, and neurotransmitters. Not surprisingly, they currently make up the largest family of validated drug targets. Rational drug design for molecular regulators targeting GPCRs...	nmrlearner	Journal club	0	11-19-2010 08:44 PM
Fully automated high-quality NMR structure determination of small (2)H-enriched prote Fully automated high-quality NMR structure determination of small (2)H-enriched proteins. Related Articles Fully automated high-quality NMR structure determination of small (2)H-enriched proteins. J Struct Funct Genomics. 2010 Aug 24; Authors: Tang Y, Schneider WM, Shen Y, Raman S, Inouye M, Baker D, Roth MJ, Montelione GT Determination of high-quality small protein structures by nuclear magnetic resonance (NMR) methods generally requires acquisition and analysis of an extensive set of structural constraints. The process generally demands...	nmrlearner	Journal club	0	08-25-2010 02:04 PM
[Ryan's blog] Is There Hope for Fully Automated Structure Elucidation?- New Article Published Source: Ryan's blog Is There Hope for Fully Automated Structure Elucidation?- New Article Published Computer Assisted Structure Elucidation (CASE) is a major challenge in and of itself. We've been working on this for many, many years and we continue to make huge strides in this area. The technology is sound, the software is being...	nmrlearner	News from NMR blogs	0	08-21-2010 08:57 PM
Fully Automated Protein NMR Structure Determination - ATNOS, MATCH, ASCAN and CANDID - Dr. Torsten Herrmann Dr. Torsten Herrmann (for NMRFAM - the National Magnetic Resonance Facility at Madison) gives a presentation on the various techniques available for fully-automated protein NMR structure determination. It's available from here: http://www.nmrfam.wisc.edu/workshops/2006/Presentations/herrmann.pdf	Bertie	Educational web pages	0	09-01-2008 02:03 AM

« Previous Thread | Next Thread »

Posting Rules
You may not post new threads You may not post replies You may not post attachments You may not edit your posts BB code is On Smilies are On [IMG] code is On HTML code is On Trackbacks are Off Pingbacks are Off Refbacks are Off