Conformational preferences and pKa value of selenocysteine residue

@article{Byun2011ConformationalPA,
  title={Conformational preferences and pKa value of selenocysteine residue},
  author={Byung Jin Byun and Young Kee Kang},
  journal={Biopolymers},
  year={2011},
  volume={95}
}
The conformational preferences of the L‐selenocysteine (Sec) dipeptides with selenol and selenolate groups (Ac‐Sec‐NHMe and Ac‐Sec−‐NHMe, respectively) and the apparent (i.e., macroscopic) pKa value of the Sec residue have been studied using the dispersion‐corrected density functionals M06‐2X and B2PLYP‐D with the implicit solvation method in the gas phase and in water. In the gas phase, the backbone‐to‐backbone and/or side chain‐to‐backbone hydrogen bonds are found to contribute in stabilizing… Expand
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