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Molecular dynamics simulation data of designed stapled α-helix

<p>Raw simulations data (protein only) and simulation set-up files of designed stapled &alpha;-helix peptides. More details can be found in this paper:&nbsp;</p> <p>Arusha Acharyya*,&nbsp;Yunhui Ge*, Haifan Wu*, William DeGrado, Vincent Voelz, Feng Gai.&nbsp;<a href="https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.8b12220"><em>Exposing the Nucleation Site in &alpha;-Helix Folding: A Joint Experimental and Simulation Study.</em></a><em>&nbsp;</em>J. Phys. Chem. B., 2019, 123 (8), pp 1797-1807 (* shared first author)</p>

ShareScore

36/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
8
Harmonization
4
Access
16
Reuse readiness
0
Engagement
8

Topics

protein foldingmolecular dynamicsmarkov state modeltemperature-jump infrared spectroscopy

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