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- Schneider, Violetta; Wadhwani, Parvesh; Reichert, Johannes; Bürck, Jochen; Elstner, Marcus; Ulrich, Anne S.; Kubař, Tomáš
- TheJournal of physical chemistry 2019 v.123 no.8 pp. 1770-1779
- Escherichia coli; bacteria; biofilm; circular dichroism spectroscopy; gel electrophoresis; hydrogen bonding; molecular dynamics; pH; peptides; phospholipids
- ... TisB is a short amphiphilic α-helical peptide from Escherichia coli that induces a breakdown of the pH gradient across the inner membrane when the bacteria are under stress and require to form persister cells to turn into a biofilm. A computational–experimental approach combining all-atom and coarse-grained molecular dynamics simulation with circular dichroism spectroscopy and gel electrophoresis ...
- Acharyya, Arusha; Ge, Yunhui; Wu, Haifan; DeGrado, William F.; Voelz, Vincent A.; Gai, Feng
- TheJournal of physical chemistry 2019 v.123 no.8 pp. 1797-1807
- crosslinking; hydrogen bonding; infrared spectroscopy; molecular dynamics; peptides; phase transition; protein folding; simulation models
- ... One of the fundamental events in protein folding is α-helix formation, which involves sequential development of a series of helical hydrogen bonds between the backbone C═O group of residues i and the −NH group of residues i + 4. While we now know a great deal about α-helix folding dynamics, a key question that remains to be answered is where the productive helical nucleation event occurs. Statisti ...