Molecular orbital analysis of the effect of D- and L-alanyl residues on the glycine chirality within the tripeptide N-Ac-Ala-Gly[β]-Ala-NH-Me. An ab initio and DFT study

Journal of Molecular Structure: THEOCHEM

Volumn 666-667, Issue , 2003, Pages 321-326

  Liao, Jack C C ^a,b   Chass, Gregory A ^a,b,c,d   Setiadi, David H ^a,b   Csizmadia, Imre G ^a,b,e  

^a Global Inst Compl Molec Mat Sci   (Canada)

^b UNIVERSITY OF TORONTO   (Canada)

^c Inst Sci d'Ingenierie S   (France)

^d CREIGHTON UNIVERSITY SCHOOL OF MEDICINE   (United States)

^e UNIVERSITY OF SZEGED   (Hungary)

Author keywords

Ab initio molecular orbital computations; Alanyl residue; Chiral induction on glycine carbon; Conformational potential energy surfaces; Glycyl residue; Multidimensional conformational analysis; N Ac D Ala Gly L Ala NH Me; N Ac L Ala Gly L Ala NH Me

Indexed keywords

AMINO ACID; AMINO ACID DERIVATIVE; GLYCINE; TRIPEPTIDE DERIVATIVE;

AB INITIO CALCULATION; CHEMICAL BOND; CHIRALITY; CONFERENCE PAPER; CONFORMATIONAL TRANSITION; ENERGY; PROTEIN ANALYSIS; PROTEIN CONFORMATION; STRUCTURE ANALYSIS; THEORY;

EID: 1642533605     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2003.08.038     Document Type: Conference Paper

References (3)

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