Completing the Drug Design Jigsaw - R & D Magazine

		BioNMR > NMR community > Online News
Completing the Drug Design Jigsaw - R & D 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

10-06-2017, 10:39 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

Completing the Drug Design Jigsaw - R & D Magazine

R & D Magazine

Completing the Drug Design Jigsaw
R & D Magazine
It adapts a technique known as ligand-based Nuclear Magnetic Resonance (NMR) spectroscopy to reveal which amino acids in the protein are involved in binding to the drug. They were able to do this by examining the drug and without having to label the ...

Completing the Drug Design Jigsaw - R & D Magazine
More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Completing the drug design jigsaw - Phys.Org http://www.bionmr.com//t2.gstatic.com/images?q=tbn:ANd9GcQhFU_n3xJjdF9LCLpyxwnT0W73BwPH27r7v3gM41u3VspP4rGACwfL92Ey-OKlklxYuhxi3E8A Phys.Org <img alt="" height="1" width="1"> Completing the drug design jigsaw Phys.Org It adapts a technique known as ligand-based Nuclear Magnetic Resonance (NMR) spectroscopy to reveal which amino acids in the protein are involved in binding to the drug. They were able to do this by examining the drug and without having to label the ... and more » Completing the drug design jigsaw - Phys.Org	nmrlearner	Online News	0	10-05-2017 07:28 PM
[NMR paper] NMR in drug design. NMR in drug design. Related Articles NMR in drug design. Arch Biochem Biophys. 2017 Jun 12;: Authors: Harner MJ, Mueller L, Robbins KJ, Reily MD Abstract The use of NMR as a tool to determine 3 dimensional protein solution structures, once a darling of the pharmaceutical industry, has largely given way to study of the interaction of prospective drugs with macromolecular targets. Many of these approaches involve ligand-centered studies, which have the advantage of speed and efficiency, but there are also many approaches that take...	nmrlearner	Journal club	0	06-18-2017 12:12 PM
New Protein Evolution Insight Could Improve Drug Design - Drug Discovery & Development <img alt="" height="1" width="1" /> New Protein Evolution Insight Could Improve Drug Design Drug Discovery & Development The team used a variety of techniques to characterize the two versions of the enzyme, including X-ray crystallography and nuclear magnetic resonance, analyses of DHFR amino-acid sequences and evaluations of the enzyme's functionality in cells and in ... and more » New Protein Evolution Insight Could Improve Drug Design - Drug Discovery & Development More...	nmrlearner	Online News	0	10-01-2013 09:43 AM
Structure-Based Drug Design Structure-Based Drug Design http://www.spectroscopynow.com/common/images/thumbnails/no_img.gifThe 13th Structure-Based Drug Discovery conference will feature the development of in silico technology as well as experimental approaches useful for accurately predicting and modeling the structures of proteins in structure-based drug design efforts. More...	nmrlearner	Conferences	0	05-22-2013 04:43 PM
Scientists move toward rational design of artificial proteins - R & D Magazine Scientists move toward rational design of artificial proteins - R & D Magazine <img alt="" height="1" width="1" /> Scientists move toward rational design of artificial proteins R & D Magazine Less vulnerable to chemical or metabolic breakdown than proteins, peptoids are promising for diagnostics, pharmaceuticals, and as a platform to build bioinspired nanomaterials, as scientists can build and manipulate peptoids with great precision. But ... Read here	nmrlearner	Online News	0	08-23-2012 03:46 AM
Speeding Up Drug Discovery with Rapid 3D Mapping of Proteins - Lab Manager Magazine <img alt="" height="1" width="1" /> 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...	nmrlearner	Online News	0	05-31-2012 03:59 AM
Postdoctoral Fellow in structure-based drug design by NMR ... Postdoctoral Fellow in structure-based drug design by NMR ... Postdoctoral Fellow in structure-based drug design by NMR, Heidelberg, Germany. View all science jobs and scientific careers from Nature Jobs, the premier ... www.nature.com/.../241001-Postdoctoral-Fellow-in-structure-... More...	nmrlearner	Job marketplace	0	01-15-2012 04:04 AM
[NMR paper] NMR spectroscopy in structure-based drug design. NMR spectroscopy in structure-based drug design. http://www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--linkinghub.elsevier.com-ihub-images-PubMedLink.gif Related Articles NMR spectroscopy in structure-based drug design. Curr Opin Biotechnol. 1999 Feb;10(1):42-7 Authors: Roberts GC NMR methods for the study of motion in proteins continue to improve, and a number of studies of protein-ligand complexes relevant to drug design have been reported over the past year, for example, studies of fatty-acid-binding protein and SH2 and SH3 domains. These...	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