glutathione s tansferase S-transferase A1 PDB-101: Molecule of the Month:

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Additionally, many studies measure vitamin K at a single point in time, failing to capture changes over time and long-term impact

314 , H659H668 (2018)

Statistical analysis was performed in R (v4.0) environment and MetaboAnalyst R (v3.0)

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The overall temperature dependence from experiments ( Q = 27.0 6.8 kJ/mole 14,15 ) has been well-captured by both classical MD ( Q = 24.9 ~ 29.9 kJ/mole 25 ) and AIMD ( Q = 24.2 kJ/mole, this work) and the absolute values of the diffusion coefficient have been slightly underestimated by MD simulations with a factor of 1.2 ~ 1.7 (1.35 for the present AIMD results), which demonstrates the capability of MD simulations in describing the structural and mass transport properties of liquid Al