SENSITIVITY OF PEPTIDE CONFORMATION TO METHODS AND GEOMETRICAL PARAMETERS - A COMPARATIVE ABINITIO AND MOLECULAR MECHANICS STUDY OF OLIGOMERS OF ALPHA-AMINOISOBUTYRIC-ACID
| Autor: | Pier Luigi Cristinziano, Franca Fraternali, Vincenzo Barone |
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| Přispěvatelé: | Barone, Vincenzo, Fraternali, F, Cristinziano, Pl |
| Rok vydání: | 1990 |
| Předmět: |
Alanine
Quantitative Biology::Biomolecules Polymers and Plastics Organic Chemistry Ab initio Energy minimization Oligomer Molecular mechanics Peptide Conformation Inorganic Chemistry chemistry.chemical_compound Residue (chemistry) chemistry Computational chemistry Materials Chemistry Conformational isomerism |
| Popis: | Comparison between the results obtained employing different force fields on the α-aminoisobutyric acid residue (Aib) in order to better define the relative stability of low-energy conformers; comparison between empirical and quantum mechanical methods; analysis of the influence of full geometry optimization on the conformational behavior of Aib; study of the role played by vibrational effects and by polar solvents in modifying the relative stability of different structures; comparison between oligomers of Aib and Alanine |
| Databáze: | OpenAIRE |
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