title: Replica exchange molecular dynamics simulation data of designed β-hairpins (implicit solvent, AMBER ff99SB-ildn-nmr)
author: Ge Yunhui
description: Raw REMD simulation data (protein only) of designed β-hairpins. AMBER ff99SB-ildn-nmr 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. 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