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Journal: Computation, 2020
Volume: 8
Number: 12

Article: Improved Sampling in Ab Initio Free Energy Calculations of Biomolecules at Solid–Liquid Interfaces: Tight-Binding Assessment of Charged Amino Acids on TiO2 Anatase (101)
Authors: by Lorenzo Agosta, Erik G. Brandt and Alexander Lyubartsev
Link: https://www.mdpi.com/2079-3197/8/1/12

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