Conformational analysis of thiopeptides: free energy calculations on the effects of thio-substitutions on the conformational distributions of alanine dipeptides.

@article{Tran2001ConformationalAO,
  title={Conformational analysis of thiopeptides: free energy calculations on the effects of thio-substitutions on the conformational distributions of alanine dipeptides.},
  author={Tran Trung Tran and Antony W. Burgess and Herbert Treutlein and Jun Zeng},
  journal={Journal of molecular graphics & modelling},
  year={2001},
  volume={20 3},
  pages={245-56}
}
When the oxygen atom in a peptide bond is replaced by a sulfur atom, the restriction in the available conformational space and the ability of thioamides to confer resistance to enzymatic degradation renders thioamides as potentially useful building blocks for drug design and protein engineering. The solvation free energy differences between conformers of… CONTINUE READING