Interchain interaction of 13C NMR chemical shift and electronic structure of polypeptide chains in the solid state as studied by tight-binding MO theory: poly(l-alanine) with the right-handed and left-handed α-helix forms

1991 ◽  
Vol 231 ◽  
pp. 231-242 ◽  
Author(s):  
Hiromichi Kurosu ◽  
Iaao Ando
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Chemical Shift ◽  
Tight Binding ◽  
Interchain Interaction ◽  
Left Handed ◽  
Α Helix ◽  
The Right ◽  
Polypeptide Chains ◽  
Mo Theory

scholarly journals Carbon-13 NMR Chemical Shift and Electronic Structure of Solid Polypeptides as Studied by Tight-binding MO Theory. Polyglycine and Poly(L-alanine)

1985 ◽  
Vol 58 (1) ◽  
pp. 23-29 ◽  
Author(s):  
Takeshi Yamanobe ◽  
Isao Ando ◽  
Hazime Saito ◽  
Ryoko Tabeta ◽  
Akira Shoji ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Chemical Shift ◽  
Tight Binding ◽  
Nmr Chemical Shift ◽  
Mo Theory

THE RAMACHANDRAN MAP OF MORE THAN 6,500 PERFECT POLYPEPTIDE CHAINS

2007 ◽  
Vol 02 (03n04) ◽  
pp. 267-271
Author(s):  
ZOLTÁN SZABADKA ◽  
RAFAEL ÖRDÖG ◽  
VINCE GROLMUSZ
Keyword(s):  
Protein Data Bank ◽  
Structural Information ◽  
Data Bank ◽  
Ramachandran Map ◽  
Tenfold Increase ◽  
Automated Processing ◽  
Data Points ◽  
Α Helix ◽  
The Right ◽  
Polypeptide Chains

The Protein Data Bank (PDB) is the most important depository of protein structural information, containing more than 45,000 deposited entries today. Because of its inhomogeneous structure, its fully automated processing is almost impossible. In a previous work, we cleaned and re-structured the entries in the Protein Data Bank, and from the result we have built the RS-PDB database. Using the RS-PDB database, we draw a Ramachandran-plot from 6,593 "perfect" polypeptide chains found in the PDB, containing 1,192,689 residues. This is a more than tenfold increase in the size of data analyzed before this work. The density of the data points makes it possible to draw a logarithmic heat map enhanced Ramachandran map, showing the fine inner structure of the right-handed α-helix region.

13C NMR chemical shift and electronic structure of polyoxymethylene in the solid state

1987 ◽  
Vol 116 (3) ◽  
pp. 391-398 ◽  
Author(s):  
Hiromichi Kurosu ◽  
Takeshi Yamanobe ◽  
Tadashi Komoto ◽  
Isao Ando
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Chemical Shift ◽  
13C Nmr ◽  
Nmr Chemical Shift
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