Published April 29, 2020
| Version 1.1
Dataset
Open
Molecular dynamics simulation data of designed stapled α-helix
Description
Raw simulations data (protein only) and simulation set-up files of designed stapled α-helix peptides. More details can be found in this paper:
Arusha Acharyya*, Yunhui Ge*, Haifan Wu*, William DeGrado, Vincent Voelz, Feng Gai. Exposing the Nucleation Site in α-Helix Folding: A Joint Experimental and Simulation Study. J. Phys. Chem. B., 2019, 123 (8), pp 1797-1807 (* shared first author)
Files
C-Cap.zip
Additional details
Related works
- Is supplement to
- Journal article: 10.1021/acs.jpcb.8b12220 (DOI)