Structure Elucidation in Organic Chemistry

		BioNMR > Educational resources > Books
Structure Elucidation in Organic Chemistry

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

07-03-2015, 07:40 PM

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

Structure Elucidation in Organic Chemistry

Intended for advanced readers, this is a review of all relevant techniques for structure analysis in one handy volume. As such, it provides the latest knowledge on spectroscopic and related techniques for chemical structure analysis, such as NMR, optical spectroscopy, mass spectrometry and X-ray crystallography, including the scope and limitation of each method. As a result, readers not only become acquainted with the techniques, but also the advantages of the synergy between them. This enables them to...

Read more at Spectroscopynow.com

Did you find this post helpful?

Similar Threads
Thread	Thread Starter	Forum	Replies	Last Post
Structure Elucidation in Organic Chemistry Structure Elucidation in Organic Chemistry http://media.wiley.com/product_data/coverImage/63/35273333/3527333363.jpgIntended for advanced readers, this is a review of all relevant techniques for structure analysis in one handy volume. As such, it provides the latest knowledge on spectroscopic and related techniques for chemical structure analysis, such as NMR, optical spectroscopy, mass spectrometry and X-ray crystallography, including the scope and limitation of each method. As a result, readers not only become acquainted with the techniques, but also the advantages of the synergy between...	nmrlearner	Books	0	10-21-2014 11:31 PM
NMR Made Easy! Part 6A - NMR to Molecule Structure - Organic Chemistry NMR Made Easy! Part 6A - NMR to Molecule Structure - Organic Chemistry http://i.ytimg.com/vi/5Uy7GiRaV2A/default.jpg NMR Made Easy! Part 6A - NMR to Molecule Structure - Organic Chemistry Hey guys guess what?!?! My 8 months late videos are finally up! NMRs Part 6A and 6B are perfect in case any of you are still having any problems with NMRs or... From:Frank Wong Views:24347 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	05-28-2014 04:28 PM
Assistant or Associate Professor of Chemistry/ Organic Chemistry \| SUNY College at Old Westbury Assistant or Associate Professor of Chemistry/ Organic Chemistry \| SUNY College at Old Westbury US - NY - Old Westbury, Ph.D. in organic chemistry or bioorganic chemistry required. A significant background in organic synthesis and experience with its associated instrumentation, such as NMR, are strongly prefer More...	nmrlearner	Job marketplace	0	11-17-2013 07:39 PM
[NMR tweet] Organic Chemistry - NMR - Nuclear Magnetic Resonance Made Easy(1/6) Electronegativity and Shielding: Organic C... http://t.co/Sb4kIorQxP Organic Chemistry - NMR - Nuclear Magnetic Resonance Made Easy(1/6) Electronegativity and Shielding: Organic C... http://t.co/Sb4kIorQxP Published by bionmr (Bio NMR) on 2013-04-29T12:44:08Z Source: Twitter	nmrlearner	Twitter NMR	0	04-29-2013 01:37 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