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"Improved Sampling in Ab Initio Free Energy Calculations of Biomolecules at ..."
Lorenzo Agosta, Erik G. Brandt, Alexander Lyubartsev (2020)
- Lorenzo Agosta, Erik G. Brandt, Alexander Lyubartsev:
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). Comput. 8(1): 12 (2020)
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