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Journal: Molecules, 2023
Volume: 28
Number: 1277

Article: GPU-Enhanced DFTB Metadynamics for Efficiently Predicting Free Energies of Biochemical Systems
Authors: by Anshuman Kumar, Pablo R. Arantes, Aakash Saha, Giulia Palermo and Bryan M. Wong
Link: https://www.mdpi.com/1420-3049/28/3/1277

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