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Author
7
Gerothanassis, I. P.
2
Sakarellos, C.
2
Troganis, A.
2
Troganis, A. N.
1
Abboud, J. L. M.
1
Athanassiou, Z.
1
Barrie, P. J.
1
Birdsall, B.
1
Contreras, R. H.
1
deKowalewski, D. G.
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3
spectroscopy
2
aqueous-solution
2
crystal-structures
2
nmr
2
noe
2
nuclear magnetic-resonance
2
peptides
2
water
1
ab-initio calculations
1
abinitio
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9
journalArticle
Date
1
2010 - 2013
3
2000 - 2009
5
1995 - 1999
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ΑΠΟΘΕΤΗΡΙΟ "ΟΛΥΜΠΙΑΣ"
Σχολή Θετικών Επιστημών
Τμήμα Χημείας
Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ
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Ab initio molecular orbital calculations of solvent clusters of trans-N-methylacetamide: Structure, ring cluster formation and out-of-plane deformation (Journal article)
Solvent effects on oxygen-17 chemical shifts in amides. Quantitative linear solvation shift relationships (Journal article)
P-31 solid-state NMR measurements used to detect interactions between NADPH and water and to determine the ionisation state of NADPH in a protein-ligand complex subjected to low-level hydration (Journal article)
N-14 NMR relaxation times of several protein amino acids in aqueous solution - comparison with O-17 NMR data and estimation of the relative hydration numbers in the cationic and zwitterionic forms (Journal article)
Experimental evidence of specific solute-solvent interactions of fullerenes C-60 and C-70 in solution: One-dimensional steady-state intermolecular C-13, H-1 Overhauser effect study (Journal article)
Conformational Properties of the Arg-Leu-Gly Tripeptide - Dmso - Water Clusters with the Combined Use of Molecular-Dynamics and Energy Minimization Studies (Journal article)
Probing micro-solvation in "numbers": the case of neutral dipeptides in water (Journal article)
The O-17-NMR shielding range and shielding time scale and detection of discrete hydrogen-bonded conformational states in peptides (Journal article)
Thermodynamic origin of cis/trans isomers of a proline-containing beta-turn model dipeptide in aqueous solution: A combined variable temperature H-1-NMR, two-dimensional H-1,H-1 gradient enhanced nuclear Overhauser effect spectroscopy (NOESY), one-dimensional steady-state intermolecular C-13,H-1 NOE, and molecular dynamics study (Journal article)