Use of constrained synthetic amino acids in [beta]-helix proteins for conformational control

Article Abstract:

Various standard computational technique like ab initio first-principles calculations on model systems and molecular dynamics simulations of entire peptide segments are applied to assess the use of conformationally restricted amino acids to stabilize natural conformational of [beta]-helix motifs for nanotechnological procedures. It is inferred that the conformational stability of the [beta]-helix motif in isolated peptide segments is improved by the ability of the phenylalanine analogue to nucleate turn conformations.

Science & research, Research, Proteins, Nanotechnology, Molecular dynamics, Protein structure, Amino acids, Structure

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Conformations of proline analogues having double bonds in the ring

Article Abstract:

The quantum mechanical calculations at the B3LYP/6-31+G(d,p) level were used to investigate the intrinsic conformational preferences of proline analogues having double bonds between carbon atoms in their rings. It was found that the double bonds affect the ring puckering and the geometric internal parameters even though the backbone conformation was influenced the most.

Quantum theory, Quantum mechanics, Carbon compounds, Atomic properties, Proline

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