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The proteins were embedded in a box of OPC water molecules (minimum distance of 12 from the solute to the boundaries of the box) and the net charge of the system was set to zero by neutralization with Cl-ions using the program tLEaP included in AmberTools21 ( 60
ncaa.org Seveljevic-Jaran D, Cuzic S, Dominis-Kramaric M, Glojnaric I, Ivetic V, et al
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For medical use, see Cyanocobalamin injection for adverse effects and precautions
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