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500ns Trajectory Data for "Comparative Exploratory Analysis of Intrinsically Disordered Protein Dynamics Using Machine Learning and Network Analytic Methods," (Grazioli.et.al. 2019)

Harvard Dataverse (Africa Rice Center, Bioversity International, CCAFS, CIAT, IFPRI, IRRI and WorldFish)

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Title 500ns Trajectory Data for "Comparative Exploratory Analysis of Intrinsically Disordered Protein Dynamics Using Machine Learning and Network Analytic Methods," (Grazioli.et.al. 2019)
 
Identifier https://doi.org/10.7910/DVN/ERYOZS
 
Creator Butts, Carter
 
Publisher Harvard Dataverse
 
Description This data set currently contains two 100ns atomistic molecular dynamics trajectories of Abeta[1-40], one wild type and one E22G, following the protocol of the 500ns trajectories published in Grazioli et al. (2019). Simulation was performed at 310K in generalized Born implicit solvent; for additional details, see the associated paper. The 500ns trajectories will be added in a subsequent update to this archive.
 
Subject Chemistry
Medicine, Health and Life Sciences
Abeta
Beta Amyloid
Molecular Dynamics
 
Contributor Butts, Carter