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Learning Free Energy Pathways through Reinforcement Learning of Adaptive Steered Molecular Dynamics

Nicholas Ho, John Kevin Cava, John Vant, Ankita Shukla, Jake Miratsky, Pavan Turaga, Ross Maciejewski, Abhishek Singharoy
doi: https://doi.org/10.1101/2022.10.04.510845

Article Information

doi 
https://doi.org/10.1101/2022.10.04.510845
History 
  • October 5, 2022.
Copyright 
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY 4.0 International license.

Author Information

  1. Nicholas Ho1,*,
  2. John Kevin Cava1,
  3. John Vant1,
  4. Ankita Shukla1,
  5. Jake Miratsky1,
  6. Pavan Turaga1,
  7. Ross Maciejewski1 and
  8. Abhishek Singharoy1
  1. 1Arizona State University, Tempe AZ, 85281
  1. ↵*Corresponding author; email: nichola2{at}asu.edu
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Posted October 05, 2022.
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Learning Free Energy Pathways through Reinforcement Learning of Adaptive Steered Molecular Dynamics
Nicholas Ho, John Kevin Cava, John Vant, Ankita Shukla, Jake Miratsky, Pavan Turaga, Ross Maciejewski, Abhishek Singharoy
bioRxiv 2022.10.04.510845; doi: https://doi.org/10.1101/2022.10.04.510845
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