Introduction to proton NMR spectroscopy (4)

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Introduction to proton NMR spectroscopy (4)

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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:

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09-19-2010, 06:03 PM

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Introduction to proton NMR spectroscopy (4)

Introduction to proton NMR spectroscopy (4)

Introduction to proton NMR spectroscopy (4)

Organic chemistry: Introduction to proton NMR (nuclear magnetic resonance) spectroscopy. Equivalent vs. nonequivalent hydrogens; chemical shift; integration; spin-spin splitting. This is a recording of a tutoring session, posted with the student's permission. These videos are offered on a "pay-what-you-like" basis. You can pay for the use of the videos at my website: www.freelance-teacher.com For a printable document containing the handout discussed in this video series, go to my website. For a list of all the available video series, arranged in suggested viewing order, go to my website. For a playlist containing all the videos in this series, click here: www.youtube.com (1) Intro (2) Equivalent vs. nonequivalent hydrogens (3) Continued (4) Continued (5) Continued (6) Continued (7) Chemical shift (8) Continued (9) Continued (10) Integration (11) Spin-spin splitting (12) Continued (13) Continued
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