NMR paper Cracking the allosteric code of NMR chemical shifts.

		BioNMR > Educational resources > Journal club
[NMR paper] Cracking the allosteric code of NMR chemical shifts.

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:

View First Unread

Thread Tools

Search this Thread

Rate Thread

Display Modes

12-01-2017, 09:24 PM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,185

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

Cracking the allosteric code of NMR chemical shifts.

Related Articles Cracking the allosteric code of NMR chemical shifts.

Proc Natl Acad Sci U S A. 2016 08 23;113(34):9407-9

Authors: VanSchouwen B, Melacini G

PMID: 27512035 [PubMed - indexed for MEDLINE]

More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
A DNP-supported solid-state NMR study of carbon species in fluid catalytic cracking catalysts #DNPNMR From The DNP-NMR Blog: A DNP-supported solid-state NMR study of carbon species in fluid catalytic cracking catalysts #DNPNMR p.p1 {margin: 0.0px 0.0px 0.0px 36.0px; text-indent: -36.0px; font: 12.0px Helvetica} Mance, D., et al., A DNP-supported solid-state NMR study of carbon species in fluid catalytic cracking catalysts. Chem Commun (Camb), 2017. 53(28): p. 3933-3936. https://www.ncbi.nlm.nih.gov/pubmed/28327736	nmrlearner	News from NMR blogs	0	06-23-2017 04:36 PM
Allosteric code of NMR chemical shifts [Biophysics and Computational Biology] Allosteric code of NMR chemical shifts VanSchouwen, B., Melacini, G.... Date: 2016-08-23 One of the broadest definitions of allostery is in terms of long-range couplings between remote sites within a molecular system (1–4). Allosteric couplings are critical to understand the molecular basis of physiological regulatory mechanisms as well as of pathological deregulation (1–4). Allostery is also opening new opportunities in drug design... Read More PNAS: Number: 34	nmrlearner	Journal club	0	08-24-2016 04:35 AM
[NMR paper] Towards Relatively General and Accurate Quantum Chemical Predictions of Solid-State (17)O NMR Chemical Shifts in Various Biologically Relevant Oxygen-containing Compounds. Towards Relatively General and Accurate Quantum Chemical Predictions of Solid-State (17)O NMR Chemical Shifts in Various Biologically Relevant Oxygen-containing Compounds. Towards Relatively General and Accurate Quantum Chemical Predictions of Solid-State (17)O NMR Chemical Shifts in Various Biologically Relevant Oxygen-containing Compounds. J Phys Chem B. 2015 Aug 14; Authors: Rorick A, Michael MA, Yang L, Zhang Y Abstract Oxygen is an important element in most biologically significant molecules and experimental solid-state...	nmrlearner	Journal club	0	08-15-2015 04:01 PM
[NMR paper] A Tool Set to Map Allosteric Networks through the NMR Chemical Shift Covariance Analysis. A Tool Set to Map Allosteric Networks through the NMR Chemical Shift Covariance Analysis. Related Articles A Tool Set to Map Allosteric Networks through the NMR Chemical Shift Covariance Analysis. Sci Rep. 2014;4:7306 Authors: Boulton S, Akimoto M, Selvaratnam R, Bashiri A, Melacini G Abstract Allostery is an essential regulatory mechanism of biological function. Allosteric sites are also pharmacologically relevant as they are often targeted with higher selectivity than orthosteric sites. However, a comprehensive map of...	nmrlearner	Journal club	0	12-09-2014 01:13 PM
Lecture 9. Chemical Shift. 1H NMR Chemical Shifts. Lecture 9. Chemical Shift. 1H NMR Chemical Shifts. http://i.ytimg.com/vi/7R7iM636WhY/default.jpg Lecture 9. Chemical Shift. 1H NMR Chemical Shifts. This video is part of a 28-lecture graduate-level course titled "Organic Spectroscopy" taught at UC Irvine by Professor James S. Nowick. The course covers in... From:UCITLTC Views:7351 http://gdata.youtube.com/static/images/icn_star_full_11x11.gif http://gdata.youtube.com/static/images/icn_star_full_11x11.gif http://gdata.youtube.com/static/images/icn_star_full_11x11.gif http://gdata.youtube.com/static/images/icn_star_full_11x11.gif...	nmrlearner	NMR educational videos	0	03-22-2013 05:19 AM
Lecture 10. 13C NMR Chemical Shifts. Chemical Equivalence and Spin-Spin Coupling. Lecture 10. 13C NMR Chemical Shifts. Chemical Equivalence and Spin-Spin Coupling. http://i.ytimg.com/vi/y3IyHEVNi_Q/default.jpg Lecture 10. 13C NMR Chemical Shifts. Chemical Equivalence and Spin-Spin Coupling. This video is part of a 28-lecture graduate-level course titled "Organic Spectroscopy" taught at UC Irvine by Professor James S. Nowick. The course covers in... From:UCITLTC Views:12165 http://gdata.youtube.com/static/images/icn_star_full_11x11.gif http://gdata.youtube.com/static/images/icn_star_full_11x11.gif http://gdata.youtube.com/static/images/icn_star_full_11x11.gif...	nmrlearner	NMR educational videos	0	03-07-2013 05:38 AM
Cracking the molecular weight barrier: Fragment screening of an aminotransferase using an NMR-based functional assay. Cracking the molecular weight barrier: Fragment screening of an aminotransferase using an NMR-based functional assay. Cracking the molecular weight barrier: Fragment screening of an aminotransferase using an NMR-based functional assay. Bioorg Med Chem Lett. 2011 Jul 21; Authors: Mendoza R, Petros AM, Liu Y, Thimmapaya R, Surowy CS, Leise WF, Pereda-Lopez A, Panchal SC, Sun C NMR-based screening of protein targets has become a well established part of the drug discovery process especially with respect to fragments. However, as target size increases...	nmrlearner	Journal club	0	08-16-2011 01:19 PM

« 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