NMR paper Effects of cholesterol on membrane molecular dynamics studied by fast field cycling NMR relaxometry.

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[NMR paper] Effects of cholesterol on membrane molecular dynamics studied by fast field cycling NMR relaxometry.

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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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08-24-2013, 04:53 PM

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Effects of cholesterol on membrane molecular dynamics studied by fast field cycling NMR relaxometry.

Effects of cholesterol on membrane molecular dynamics studied by fast field cycling NMR relaxometry.

Related Articles Effects of cholesterol on membrane molecular dynamics studied by fast field cycling NMR relaxometry.

Phys Chem Chem Phys. 2013 Aug 22;

Authors: Hsieh CJ, Chen YW, Hwang DW

Abstract
Biological membranes are complex structures composed of various lipids and proteins. Different membrane compositions affect viscoelastic and hydrodynamic properties of membranes, which are critical to their functions. Lipid bilayer vesicles inserted by cholesterol not only enhance membrane surface motional behavior but also strengthen vesicle stability. Cholesterol-rich vesicles are similar to cell membranes in structure and composition. Therefore, cholesterol-rich vesicles can represent a typical model for studying membrane dynamics and functions. In this study, nuclear magnetic relaxation dispersion was used to investigate the detailed molecular dynamics of membrane differences between vesicles and cholesterol vesicles in the temperature range of 278-298 K. Vesicles of two different sizes were prepared. The effect of cholesterol mainly affected the order fluctuation of membranes and the diffusional motion of lipid molecules. In addition, phase variations were also observed in liposomes that contained cholesterol from analyses of the distances between lipid molecules.

PMID: 23965762 [PubMed - as supplied by publisher]

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