Article ID Journal Published Year Pages File Type
5395176 Computational and Theoretical Chemistry 2011 7 Pages PDF
Abstract
►Molecular mechanics and DFT study of 400 unique dipeptide structures. ► Structural parameters and electron density features reported. ► Hydrogen bonding motifs dominate conformational preferences. ► Bond critical point electron density of peptide bond correlated to bond length.
Keywords
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
A theoretical study of the structure and electron density of the peptide bond
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