Published May 12, 2020
| Version 1.0
Dataset
Open
Molecular dynamics simulation data of designed β-hairpins
Description
Raw simulations data (protein only) and simulation set-up files of designed β-hairpins. More details can be found in this paper:
Yunhui Ge, Brandon Kier, Niels H. Andersen and Vincent A. Voelz. Computational and experimental evaluation of designed beta-cap hairpins using molecular simulations and kinetic network models. J. Chem. Inf. Model., 2017, 57 (7), pp 1609–1620
Files
explicit.zip
Additional details
Related works
- Is supplement to
- Journal article: 10.1021/acs.jcim.7b00132 (DOI)