Can Schrodinger's Equation predict steric clashes

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SUMMARY

Schrödinger's equation, while powerful in quantum mechanics, cannot practically predict steric clashes in multi-domain proteins or enzymes. The theoretical framework exists, but the complexity of modeling steric hindrance at active sites requires computational resources beyond standard capabilities, such as those provided by NASA supercomputers. The discussion emphasizes the limitations of current computational methods in accurately simulating molecular interactions.

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Ben Rodolico
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Hi All:
My name is Ben, and l am new to the forum. Currently doing a Med Degree, but already have an Engineering Degree and Masters.
With all Schrödinger's equation is able to do, could it also predict and model the steric clashes of functional groups in multi domain proteins, or enzymes?
 
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For all practical purposes no, although it would be possible in theory.
 
What if, l construct a series of Schrödinger's equations, with the probability distribution when the two molecules are in steric hindrance at 1. I am currently looking at only the "active sites" of the proteins and enzymes. I will need the NASA super computer to do the calcs. :)
 

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