N-acetyi-L-aspartic acid-N′-methylamide with side-chain orientation capable of external hydrogen bonding: Backbone and side-chain folding, studied at the DFT level of quantum theory

European Physical Journal D

Volumn 20, Issue 3, 2002, Pages 499-511

  Koo, J C P ^a   Chass, G A ^a,b   Perczel, A ^c   Farkas, O ^c   Varro, A ^d   Torday, L L ^d   Papp, J Gy ^d   Csizmadia, I G ^a  

^a UNIVERSITY OF TORONTO   (Canada)

^b Velocet R and D   (Canada)

^c EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^d UNIVERSITY OF SZEGED   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; CHAINS; POTENTIAL ENERGY; QUANTUM THEORY;

B3LYP/6-31G; CHAIN FOLDING; DFT LEVELS; L-ASPARTIC ACID; N ACETYLS; POTENTIAL ENERGY HYPER-SURFACE; RELATIVE ENERGIES; SIDE-CHAIN ORIENTATION; SIDE-CHAINS; STABILIZATION ENERGY;

HYDROGEN BONDS;

EID: 0036769918     PISSN: 14346060     EISSN: None     Source Type: Journal    
DOI: 10.1140/epjd/e2002-00148-5     Document Type: Article

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