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Journal: Molecules, 2019
Volume: 24
Number: 681

Article: The Good, the Bad, and the Ugly: “HiPen”, a New Dataset for Validating (S)QM/MM Free Energy Simulations
Authors: by Fiona L. Kearns, Luke Warrensford, Stefan Boresch and H. Lee Woodcock
Link: https://www.mdpi.com/1420-3049/24/4/681

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