Amino acids, conformational

Phillips ST, Piersanti G, Bartlett PA. Quantifying amino acid conformational preferences and side-chain-side-chain interactions in beta-hairpins. Proc Natl Acad Sci USA 2005 102 13737-13742. 

Avbelj F. Amino acid conformational preferences and solvation of polar backbone atoms in peptides and proteins. J. Mol. Biol. 2000 300 1335-1359. 

Gronert S, O Hair RAJ. Ab initio studies of amino acid conformation. 1. The conformers of alanine, serine, and cysteine. J. Am. Chem. Soc. 1995 117 2071-2081. 

Figure 4. Thyroxine with amino acid conformational parameters defined...

Goodman M. and Moore G.W. (1977). Use of Chou-Fasman amino acid conformational parameters to analyze the organization of the genetic code and to construct protein genealogies. J. Mol. Evol. 10 7-47. 

Initial applications of Jqq couplings to amino acid conformation analysis were based on the theoretical finite perturbation theory self consistent field molecular orbital theory at the INDO level of approximation for butanoic acid 25) (Table I). Ptak, et al.(29) noted In their studies of enriched threonine and aspartic acid that application of the butanoic acid couplings did not give agreement with the rotamer populations based on analysis and suggested different values (Table I). We have obtained theoretical results for aspartic... 

Crossley. M.J. Mackay, L.G. Try, A.C. Enantioselective recognition of histidine and lysine esters by porphyrin chiral clefts and detection of amino acid conformations in the bound state. J. Chem. Soc.. Ser. Chem. Commun. 1995. 18. 1925-1927. 

The transition dipole moment, and therefore the oscillator strengths, are sensitive to the inclusion of the amino acid, conformation, method, and basis sets. This makes accurate calculations involving the oscillator strengths difficult to obtain. The oscillator strengths of the amino acids qualitatively show their order of absorptivity and lifetimes, but do not agree well with the experimental lifetimes [4, 5, 35]. The sensitivity of these properties on the conformers and the method contributes to the poor agreement with experiment. 

Ebata T, Hashimoto T, Ito T, Inokuchi Y, Altunsu F, Brutschy B, Tarakeshwar P (2006) Hydration profiles of aromatic amino acids conformations and vibrations of L-phenylalanine-(H20)(n) clusters. Phys Chem Chem Phys 8(41) 4783 791... 

Bakker JM, Aleese LM, Meijer G, von Helden G (2003) Fingerprint IR spectroscopy to probe amino acid conformations in the gas phase. Phys Rev Lett 91 203003... 

---