Quantum Chemical Investigations on Intraresidue Carbonyl−Carbonyl Contacts in Aspartates of High-Resolution Protein Structures

2010 ◽  
Vol 114 (2) ◽  
pp. 1038-1049 ◽  
Author(s):  
Tuhin Kumar Pal ◽  
Ramasubbu Sankararamakrishnan
Keyword(s):  
High Resolution ◽  
Quantum Chemical ◽  
Protein Structures

scholarly journals Hydrogen atoms in protein structures: high-resolution X-ray diffraction structure of the DFPase

2013 ◽  
Vol 6 (1) ◽  
pp. 308 ◽  
Author(s):  
Mikael Elias ◽  
Dorothee Liebschner ◽  
Jurgen Koepke ◽  
Claude Lecomte ◽  
Benoit Guillot ◽  
...  
Keyword(s):  
High Resolution ◽  
Protein Structures ◽  
X Ray Diffraction ◽  
Hydrogen Atoms ◽  
X Ray ◽  
Diffraction Structure

scholarly journals Unveiling the omega/psi correlation in high resolution protein structures

2005 ◽  
Vol 61 (a1) ◽  
pp. c482-c482
Author(s):  
L. Esposito ◽  
A. De Simone ◽  
A. Zagari ◽  
L. Vitagliano
Keyword(s):  
High Resolution ◽  
Protein Structures

Ab initio conformational analysis of 1,2,3,4-tetrahydroquinoline and the high-resolution rotational spectrum of its lowest energy conformer

2018 ◽  
Vol 20 (21) ◽  
pp. 14664-14670 ◽  
Author(s):  
Kateřina Luková ◽  
Radim Nesvadba ◽  
Tereza Uhlíková ◽  
Daniel A. Obenchain ◽  
Dennis Wachsmuth ◽  
...  
Keyword(s):  
High Resolution ◽  
Conformational Analysis ◽  
Ab Initio ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Rotational Spectroscopy ◽  
Rotational Spectrum ◽  
Molecular Physics ◽  
Insight Into

The tight combination of rotational spectroscopy and quantum-chemical calculations provides an insight into the molecular physics of the lowest energy conformer of 1,2,3,4-tetrahydroquinoline.

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