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FE-ToolKit: A Versatile Software Suite for Analysis of High-Dimensional Free Energy Surfaces and Alchemical Free

Timothy J Giese1, Ryan Snyder1, Zeke Piskulich1

  • 1Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, United States.

Journal of Chemical Information and Modeling
|May 21, 2025
PubMed
Abstract

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