Replica exchange molecular dynamics simulation data of designed β-hairpins (implicit solvent, AMBER ff96)
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Raw REMD simulation data (protein only) of designed β-hairpins. AMBER ff96 and implicit solvent model is used. More details can be found in this paper: Yunhui Ge, Brandon Kier, Niels H. Andersen and Vincent A. Voelz. <em>Computational and experimental evaluation of designed beta-cap hairpins using molecular simulations and kinetic network models.</em> J. Chem. Inf. Model., 2017, 57 (7), pp 1609–1620
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Zenodo创建时间：
2020-05-12
