Dear all
I have performed a simulation for native protein. Now I want to add glucose molecules (to mimic diabetes condition) with 240 mg/dL. How many number of glucose molecules do I need to add?
The size of my box is 10.98 * 10.98 * 10.98 nm.
Come on - Glucose has a molecular weight of 180.16 g·mol−1, there are 6.022140857(74)×1023 molecule in a mole (Avogadro's number), the rest is simple arithmetics!
240 mg/dl = 2.4 g/L = 2.4/180.16 mol/L = 0.01332 mol/L = 8.02E21 molecules/L
your waterbox is 1.32E-24 m3 , since 1L is 10E-3 m3, this corresponds 1.32 E-21 L
at 8.02E21 molecules/L , this would be 10-11 glucose molecules (10.61molecules)
You have the answer right in front of you. Take your total volume multiplied by the concentration which gives you the total mass in grams or mg and divide by the molecular weight = 180 AMU. That gives you the total # of moles. There are an Avogadros # of molecules per mole.....6.022 X 10 to the +23 power....got it?
Dr. Mike
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