How a Supercomputer May Have Finally Unlocked a Way to Beat HIV - Gizmodo

		BioNMR > NMR community > Online News
How a Supercomputer May Have Finally Unlocked a Way to Beat HIV - Gizmodo

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

06-01-2013, 12:38 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,187

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

How a Supercomputer May Have Finally Unlocked a Way to Beat HIV - Gizmodo

U.S. News & World Report

How a Supercomputer May Have Finally Unlocked a Way to Beat HIV
Gizmodo
Capsids comprise 2,000 copies of the viral protein, p24, arranged in a lattice structure (a rough insight gleaned only from years of cryo-electron microscopy, nuclear magnetic resonance spectroscopy, cryo-EM tomography, and X-ray crystallography work).
GPU accelerators power HIV breakthroughE&T magazine
HIV Shell Structure Cracked With Help Of SupercomputerMedical News Today
Wit, grit, and a supercomputer yield chemical structure of HIV capsidR & D Magazine
CNET (blog)
all 56 news articles »

How a Supercomputer May Have Finally Unlocked a Way to Beat HIV - Gizmodo
More...

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
HIV Shell Structure Cracked With Help Of Supercomputer - Medical News Today http://www.bionmr.com//t3.gstatic.com/images?q=tbn:ANd9GcTAodTWvMW0Dy_p5VKZoiAxpB-zn3gOPriLgKpuLdze9QKgva8k0r1ZrR2Un6XiA8Kq4YyLKnU U.S. News & World Report <img alt="" height="1" width="1" /> HIV Shell Structure Cracked With Help Of Supercomputer Medical News Today To try and see the atomic-level detail of the shell, made of over 1,300 identical proteins, researchers have used a range of sophisticated lab tools, from nuclear magnetic resonance spectroscopy and X-ray crystallography, to cryo-electron microscopy ... Supercomputer Helps Build HIV Capsid StructureBioscience Technology...	nmrlearner	Online News	0	05-30-2013 09:46 PM
Indicator: Beat the Alzheimer's blues Indicator: Beat the Alzheimer's blues http://www.spectroscopynow.com/common/images/thumbnails/13d16d600f3.jpgMethylene blue is well known as a redox indicator in chemical laboratories, but it may also have a role to play in warding off the symptoms of Alzheimer's disease, according to a new study, or perhaps lead to novel drugs for the disorder based on its chemical structure and properties. Mechanistic details of the compound's putative mode of action are revealed in the journal Angewandte Chemie by researchers using nuclear magnetic resonance (NMR) and spectroscopy and other approaches....	nmrlearner	General	0	03-01-2013 09:03 AM
[NMR tweet] @flargh ACHIEVEMNT UNLOCKED: NUCLEAR MAGNETIC RESONANCE @flargh ACHIEVEMNT UNLOCKED: NUCLEAR MAGNETIC RESONANCE Published by siegel (siegel) on 2011-02-25T00:42:30Z Source: Twitter	nmrlearner	Twitter NMR	0	02-25-2011 12:53 AM
[Stan NMR blog] PERFIDI are finally airborne PERFIDI are finally airborne First practical applications of the parametric longitudinal relaxation filters Source: Stan blog library	nmrlearner	News from NMR blogs	0	01-02-2011 10:02 AM
Copper, on the beat with NMR Copper, on the beat with NMR The first NMR spectroscopy study of the copper site in an important blue metalloprotein, azurin, has been undertaken. Copper mediates many biochemical redox reactions and azurin plays an important role in catalysing electron transfer in cellular reactions. Source: Spectroscopynow.com	nmrlearner	General	0	08-16-2010 03:50 AM
Brand new unlocked APPLE IPHONE 3G S 32GB..NOKIA N97 32GB F/S Mobile Advance Ltd Electronics is a Telecommunication equipment company dedicated to the service of the public in dispensing and selling quality goods and services to the entire public at large. We operate much kind of services and other benefits depending on the rate at which we receive patronage from our buyers and thus this makes us one of the best in the Telecommunication distribution sector. We were established in the year 1996 as a corporate company in the Telecom distributorship industry, We have braacnches and drop shippers worldwide. We have achieved a lot of goals due to the high...	tundelln264	Job marketplace	0	07-02-2009 11:45 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