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Alanine Dipeptide

The dataset used in the paper is a set of molecular dynamics simulations with temperature-accelerated molecular dynamics (TAMD) and enhanced sampling methods.

Data and Resources

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Cite this as

Wang, Olsson, Wehmeyer, P´erez, Charron, De Fabritiis, No´e, Clementi (2024). Dataset: Alanine Dipeptide. https://doi.org/10.57702/456ts39i

Private DOI This DOI is not yet resolvable.
It is available for use in manuscripts, and will be published when the Dataset is made public.

Additional Info

Field Value
Created December 16, 2024
Last update December 16, 2024
Defined In https://doi.org/10.1007/978-3-031-31975-4_16
Citation
  • https://doi.org/10.48550/arXiv.2312.09404
  • https://doi.org/10.1103/PhysRevX.10.021020
  • https://doi.org/10.48550/arXiv.2302.00600
Author Wang
More Authors
Olsson
Wehmeyer
P´erez
Charron
De Fabritiis
No´e
Clementi
Homepage https://github.com/li012589/neuralCT