"Improved Sampling in Ab Initio Free Energy Calculations of Biomolecules at ..."

Lorenzo Agosta, Erik G. Brandt, Alexander Lyubartsev (2020)

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DOI: 10.3390/COMPUTATION8010012

access: open

type: Journal Article

metadata version: 2024-05-16

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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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