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Elevated blood ammonia level is a potential biological risk factor of behavioral disorders in prisoners

Mengjie S, Daniil A, Dmitrii F, Teemu V, Markus BL, Aranko AS

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While experiments are typically done using a large number of molecules (at millimolar concentrations equivalent to molecules), and measured values are thus the result of large ensemble averages, MD simulations can complement experiments by providing a high-resolution view on certain processes, which is essential to decipher the underlying molecular-mode-of-action