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Active Enhanced Sampling (AES) for Molecular Dynamics Simulations

The dataset used in the paper is a set of molecular dynamics simulations of alanine dipeptide and met-enkephalin. The dataset contains 7 iterations of active enhanced sampling (AES) and 2 systems: alanine dipeptide and met-enkephalin.

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Cite this as

Jing Zhang, Ming Chen (2024). Dataset: Active Enhanced Sampling (AES) for Molecular Dynamics Simulations. https://doi.org/10.57702/mhjzbmbo

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Additional Info

Field	Value
Created	December 16, 2024
Last update	December 16, 2024
Defined In	https://doi.org/10.1103/PhysRevLett.121.010601
Author	Jing Zhang
More Authors	Ming Chen