| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5380024 | Chemical Physics Letters | 2015 | 10 Pages |
Abstract
- Variants and epimers of the human pentapeptide opiorphin are studied theoretically.
- Most of the epimers exhibit no well-defined secondary structure.
- Intramolecular interactions are identified using the atoms in molecules theory.
- The thermodynamics of the epimerization is explored using DFT calculations.
- The overall epimerization is a downhill process for a OH/H2O2 redox system.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
János J. Szórád, Eszter P. Faragó, Anita Rágyanszki, Franco A. Cimino, Béla Fiser, Michael C. Owen, Balázs Jójárt, Claudio A. Morgado, Milán SzÅri, Svend J. Knak Jensen, Imre G. Csizmadia, Béla Viskolcz,