Interfering with enzyme's movement may be new approach for developing of anti-cancer drugs - News-Medical.net

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Interfering with enzyme's movement may be new approach for developing of anti-cancer drugs - News-Medical.net

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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

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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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05-16-2018, 03:42 PM

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Interfering with enzyme's movement may be new approach for developing of anti-cancer drugs - News-Medical.net

News-Medical.net

Interfering with enzyme's movement may be new approach for developing of anti-cancer drugs
News-Medical.net
To watch a kinase called mitogen-activated protein kinase (MAPK) p38 in action, the researchers used nuclear magnetic resonance (NMR) spectroscopy. All necessary molecules had to bind to p38 for the enzyme to become active. Only then could the ...

Interfering with enzyme's movement may be new approach for developing of anti-cancer drugs - News-Medical.net
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