Speeding Up Drug Discovery with Rapid 3D Mapping of Proteins - Lab Manager Magazine

		BioNMR > NMR community > Online News
Speeding Up Drug Discovery with Rapid 3D Mapping of Proteins - Lab Manager Magazine

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

05-31-2012, 03:59 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

Speeding Up Drug Discovery with Rapid 3D Mapping of Proteins - Lab Manager Magazine

Speeding Up Drug Discovery with Rapid 3D Mapping of Proteins
Lab Manager Magazine
These amino acids gave off telltale structural clues when analyzed with nuclear magnetic resonance spectroscopy, a method for using the magnetic properties of atoms to determine a molecule's physical and chemical properties. "It was very difficult and ...

and more »

Speeding Up Drug Discovery with Rapid 3D Mapping of Proteins - Lab Manager Magazine
More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Speeding up drug discovery with rapid 3-D mapping of proteins - Phys.Org <img alt="" height="1" width="1" /> Speeding up drug discovery with rapid 3-D mapping of proteins Phys.Org These amino acids gave off telltale structural clues when analyzed with nuclear magnetic resonance spectroscopy, a method for using the magnetic properties of atoms to determine a molecule's physical and chemical properties. "It was very difficult and ... and more » Speeding up drug discovery with rapid 3-D mapping of proteins - Phys.Org More...	nmrlearner	Online News	0	05-30-2012 03:00 PM
A New Tool to Reveal Structure of Proteins - Lab Manager Magazine A New Tool to Reveal Structure of Proteins - Lab Manager Magazine <img alt="" height="1" width="1" /> A New Tool to Reveal Structure of Proteins Lab Manager Magazine For roughly a decade, a technique called solid state nuclear magnetic resonance (NMR) spectroscopy has allowed researchers to detect the arrangements of atoms in proteins that defy study by traditional laboratory tools such as X-ray crystallography. and more » Read here	nmrlearner	Online News	0	03-20-2012 10:52 PM
Researchers Look at Averting Drug Resistance - Drug Discovery & Development <img alt="" height="1" width="1" /> Researchers Look at Averting Drug Resistance Drug Discovery & Development Kern and her team studied the protein using nuclear magnetic resonance spectroscopy, adding a drug mimetic in order to learn how the structure EmrE was designed and how it functioned as it was transportingâ??moving the drug from the inside of the cell ... Researchers Look at Averting Drug Resistance - Drug Discovery & Development More...	nmrlearner	Online News	0	02-02-2012 09:43 PM
$1.2M for Biomed Research - Lab Manager Magazine <img alt="" height="1" width="1" /> $1.2M for Biomed Research Lab Manager Magazine NIH also awarded UGA a $363700 grant for a new electronics console for the 800 MHz nuclear magnetic resonance spectrometer housed in the Fred C. Davison Life Sciences Complex. The more reliable console will further research in protein chemistry, ... $1.2M for Biomed Research - Lab Manager Magazine More...	nmrlearner	Online News	0	10-03-2011 08:40 PM
3D Proteins: Getting the Big Picture - Drug Discovery & Development 3D Proteins: Getting the Big Picture - Drug Discovery & Development http://nt3.ggpht.com/news/tbn/k64MPYPXLU8xiM/6.jpg Drug Discovery & Development <img alt="" height="1" width="1" /> 3D Proteins: Getting the Big Picture Drug Discovery & Development For decades, with funding from the National Science Foundation (NSF), Hinton has used nuclear magnetic resonance (NMR) to look at protein structure and function. But he wanted to find a way to educate and engage students about his discoveries. ... and more »	nmrlearner	Online News	0	05-10-2011 07:17 PM
[NMR paper] NMR in the acceleration of drug discovery. NMR in the acceleration of drug discovery. Related Articles NMR in the acceleration of drug discovery. Curr Opin Drug Discov Devel. 2001 Jul;4(4):479-92 Authors: Sem DS, Pellecchia M The field of NMR spectroscopy has grown beyond expectations from the first historic observation of nuclear magnetic resonance in 1946 by Bloch and Purcell, to the first generation of protein structures 20 years ago, to the present where NMR structures now represent 15 to 20% of those submitted to the Protein Data Bank (PDB). However, the applications of NMR go far...	nmrlearner	Journal club	0	11-19-2010 08:44 PM
[NMR paper] Applications of NMR in drug discovery. Applications of NMR in drug discovery. Related Articles Applications of NMR in drug discovery. Drug Discov Today. 2000 Jun;5(6):230-240 Authors: Roberts GC In the half-century since its discovery, nuclear magnetic resonance (NMR) has become the single most powerful form of spectroscopy in both chemistry and structural biology. The dramatic technical advances over the past 10-15 years, which continue apace, have markedly increased the range of applications for NMR in the study of protein-ligand interactions. These form the basis for its most...	nmrlearner	Journal club	0	11-18-2010 09:15 PM
[NMR paper] NMR screening in drug discovery. NMR screening in drug discovery. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles NMR screening in drug discovery. Curr Opin Biotechnol. 1999 Feb;10(1):54-8 Authors: Moore JM NMR methods in drug discovery have traditionally been used to obtain structural information for drug targets or target-ligand complexes. Recently, it has been shown that NMR may be used as an alternative approach for identification of ligands that bind to protein drug targets, shifting the emphasis...	nmrlearner	Journal club	0	08-21-2010 04:03 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