Page Content
Publications
| Citation key | ISI:000404541500041 |
|---|---|
| Author | de Miguel, Alejandra and Tapia-Rojo, Rafael and Utesch, Tillmann and Mroginski, Maria Andrea |
| Year | 2017 |
| ISSN | 1932-6203 |
| DOI | 10.1371/journal.pone.0179962 |
| Address | 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA |
| Journal | PLOS ONE |
| Volume | 12 |
| Number | 6 |
| Month | JUN 27 |
| Publisher | PUBLIC LIBRARY SCIENCE |
| Abstract | Two variants of the two-component Lantibiotic Lichenicidin, produced by the strains B. Licheniformis VK21 and I89 (Lch alpha/Lch beta and Bli alpha/Bli beta peptides, respectively) have been investigated by means of 2 mu s-long all-atom molecular dynamics simulations combined with Markov State Models. This rigorous statistical analysis enabled to evaluate the dynamic and kinetic properties of the aforementioned systems which are not accessible via experimental techniques. The structural flexibility characteristic of these small peptides is understood by a delicate equilibrium between random coil, alpha-helices and beta-sheet structures. The undergoing secondary structure transitions from an alpha-helix to a beta-sheet observed for Lch alpha and Lch beta peptides, were not present in the Bli alpha component and provide new insights to understand their mechanism of action. |
| Bibtex Type of Publication | Article |
Zusatzinformationen / Extras
Quick Access:
Schnellnavigation zur Seite über Nummerneingabe
Auxiliary Functions
This site uses Matomo for anonymized webanalysis. Visit Data Privacy for more information and opt-out options.