Texas A&M AgriLife describes new protein structures to aid rational drug design - AgriLife Today

		BioNMR > NMR community > Online News
Texas A&M AgriLife describes new protein structures to aid rational drug design - AgriLife Today

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

05-17-2022, 10:02 AM

nmrlearner

Senior Member

Join Date: Jan 2005

Posts: 23,777

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

Texas A&M AgriLife describes new protein structures to aid rational drug design - AgriLife Today

Texas A&M AgriLife describes new protein structures to aid rational drug design - AgriLife Today

Texas A&M AgriLife describes new protein structures to aid rational drug design AgriLife Today Read here

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Overreliance on cryocooled protein structures may compromise computational structure-based drug design - Chemistry World Overreliance on cryocooled protein structures may compromise computational structure-based drug design - Chemistry World Overreliance on cryocooled protein structures may compromise computational structure-based drug design Chemistry World Read here	nmrlearner	Online News	0	10-15-2021 05:53 PM
[NMR paper] Rational Design of Crystallization Induced Emission Probes to Detect Amorphous Protein Aggregation in Live Cells Rational Design of Crystallization Induced Emission Probes to Detect Amorphous Protein Aggregation in Live Cells Angewandte Chemie International Edition, Accepted Article. More...	nmrlearner	Journal club	0	05-16-2021 02:19 AM
Structure of A2aAR protein holds clues for better drug design - Drug Target Review Structure of A2aAR protein holds clues for better drug design - Drug Target Review Structure of A2aAR protein holds clues for better drug design Drug Target ReviewScientists have investigated a key protein used in drug design and discovered dynamic structural features that may lead to new ways to target diseases… Read here	nmrlearner	Online News	0	01-07-2019 05:49 AM
New Structure of Key Protein Holds Clues for Better Drug Design - Drug Discovery & Development New Structure of Key Protein Holds Clues for Better Drug Design - Drug Discovery & Development http://www.bionmr.com//t2.gstatic.com/images?q=tbn:ANd9GcT1kdPCywa7_Peq_DtD9fXkY5_dRiMlMMPRdla0PAYYKE305o8lGDypaVvzHU62rj3Xid-pncET Drug Discovery & Development <img alt="" height="1" width="1"> New Structure of Key Protein Holds Clues for Better Drug Design Drug Discovery & Development To solve this problem, the researchers used a technique called nuclear magnetic resonance (NMR) spectroscopy, which creates strong magnetic fields to locate the positions of probes in a sample. WÃ¼thrich is a...	nmrlearner	Online News	0	01-29-2018 01:57 PM
Structure of A2aAR protein holds clues for better drug design - Drug Target Review Structure of A2aAR protein holds clues for better drug design - Drug Target Review http://www.bionmr.com//t2.gstatic.com/images?q=tbn:ANd9GcRuETgJqnTh9Wp0m-45aeSW9Z-4wIp2p4ir8B09tY9y94P37ZaDQjmpewnDAZL0FvfSlK2aEsU Drug Target Review <img alt="" height="1" width="1"> Structure of A2aAR protein holds clues for better drug design Drug Target Review A2aAR protein holds clues for better drug design. Scientists have investigated a key protein used in drug design and discovered dynamic structural features that may lead to new ways to target diseases. and more »	nmrlearner	Online News	0	01-03-2018 08:43 AM
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
[NMR paper] NMR investigations of structural and dynamics features of natively unstructured drug peptide - salmon calcitonin: implication to rational design of potent sCT analogs. NMR investigations of structural and dynamics features of natively unstructured drug peptide - salmon calcitonin: implication to rational design of potent sCT analogs. http://www.bionmr.com//www.ncbi.nlm.nih.gov/corehtml/query/egifs/http:--media.wiley.com-assets-2250-98-WileyOnlineLibrary-Button_120x27px_FullText.gif Related Articles NMR investigations of structural and dynamics features of natively unstructured drug peptide - salmon calcitonin: implication to rational design of potent sCT analogs. J Pept Sci. 2013 Jan;19(1):33-45 Authors: Rawat A, Kumar D ...	nmrlearner	Journal club	0	06-07-2013 10:04 AM
Systematic Study of Protein Detection Mechanism of Self-Assembling 19F NMR/MRI Nanoprobes toward Rational Design and Improved Sensitivity Systematic Study of Protein Detection Mechanism of Self-Assembling 19F NMR/MRI Nanoprobes toward Rational Design and Improved Sensitivity Yousuke Takaoka, Keishi Kiminami, Keigo Mizusawa, Kazuya Matsuo, Michiko Narazaki, Tetsuya Matsuda and Itaru Hamachi http://pubs.acs.org/appl/literatum/publisher/achs/journals/content/jacsat/0/jacsat.ahead-of-print/ja203996c/aop/images/medium/ja-2011-03996c_0004.gif Journal of the American Chemical Society DOI: 10.1021/ja203996c http://feeds.feedburner.com/~ff/acs/jacsat?d=yIl2AUoC8zA http://feeds.feedburner.com/~r/acs/jacsat/~4/fqTSjFalrGg	nmrlearner	Journal club	0	07-12-2011 08:16 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