Correlation Energy, Thermal Energy, and Entropy Effects in Stabilizing Different Secondary Structures of Peptides
- 1 November 1997
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 101 (45) , 8571-8574
- https://doi.org/10.1021/jp972192z
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- Peptide models XV. The effect of basis set size increase and electron correlation on selected minima of the ab initio 2D-Ramachandran map of For-Gly-NH2 and For-l-Ala-NH2Journal of Molecular Structure: THEOCHEM, 1997
- Simulations of peptide conformational dynamics and thermodynamicsChemical Reviews, 1993
- Conformation dynamics in peptides: quantum chemical calculations and molecular dynamics simulations on N-acetylalanyl-N'-methylamideJournal of Molecular Structure: THEOCHEM, 1993
- Peptide models 6. New .beta.-turn conformations from ab initio calculations confirmed by x-ray data of proteinsJournal of the American Chemical Society, 1993
- Evaluation of the dipeptide approximation in peptide modeling by ab initio geometry optimizations of oligopeptidesJournal of the American Chemical Society, 1993
- Substituent effects and the charge topology in nitriles and cyanidesJournal of the American Chemical Society, 1991
- Theoretical study of blocked glycine and alanine peptide analogsJournal of the American Chemical Society, 1991
- Conformational transitions and geometry differences between low‐energy conformers of N‐acetyl‐N′‐methyl alanineamide: An ab initio study at the 4‐21G level with gradient relaxed geometriesBiopolymers, 1984
- Ab initio studies of molecular geometries. 27. Optimized molecular structures and conformational analysis of N.alpha.-acetyl-N-methylalaninamide and comparison with peptide crystal data and empirical calculationsJournal of the American Chemical Society, 1983
- Ab initiostudies of structural features not easily amenable to experiment. 23. Molecular structures and conformational analysis of the dipeptideN-acetyl-N′-methyl glycyl amide and the significance of local geometries for peptide structuresThe Journal of Chemical Physics, 1982